3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;3-tert-butyl-1-(4,4-dimethylpentyl)azetidine;1-tert-butyl-N-(2,2-dimethylpropyl)piperidin-4-amine;N,1-ditert-butylpiperidin-4-amine;1,4-ditert-butylpiperidine

C120H250N10 — CID 159885184

IUPAC3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;3-tert-butyl-1-(4,4-dimethylpentyl)azetidine;1-tert-butyl-N-(2,2-dimethylpropyl)piperidin-4-amine;N,1-ditert-butylpiperidin-4-amine;1,4-ditert-butylpiperidine
SMILESCC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)CCCCCCCN1CC(C(C)(C)C)C1.CC(C)(C)CCCCCCN1CC(C(C)(C)C)C1.CC(C)(C)CCCCCN1CC(C(C)(C)C)C1.CC(C)(C)CCCCN1CC(C(C)(C)C)C1.CC(C)(C)CCCN1CC(C(C)(C)C)C1.CC(C)(C)CNC1CCN(C(C)(C)C)CC1.CC(C)(C)NC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C18H37N.C17H35N.C16H33N.C15H31N.C14H30N2.C14H29N.C13H28N2.C13H27N/c1-17(2,3)12-10-8-7-9-11-13-19-14-16(15-19)18(4,5)6;1-16(2,3)11-9-7-8-10-12-18-13-15(14-18)17(4,5)6;1-15(2,3)10-8-7-9-11-17-12-14(13-17)16(4,5)6;1-14(2,3)9-7-8-10-16-11-13(12-16)15(4,5)6;1-13(2,3)11-15-12-7-9-16(10-8-12)14(4,5)6;1-13(2,3)8-7-9-15-10-12(11-15)14(4,5)6;1-12(2,3)14-11-7-9-15(10-8-11)13(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h16H,7-15H2,1-6H3;15H,7-14H2,1-6H3;14H,7-13H2,1-6H3;13H,7-12H2,1-6H3;12,15H,7-11H2,1-6H3;12H,7-11H2,1-6H3;11,14H,7-10H2,1-6H3;11H,7-10H2,1-6H3
InChIKeyNUARQKHFFSSSRS-UHFFFAOYSA-N
MW1833.39 g/mol
LogP31.92
Rot. Bonds28

About 3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;3-tert-butyl-1-(4,4-dimethylpentyl)azetidine;1-tert-butyl-N-(2,2-dimethylpropyl)piperidin-4-amine;N,1-ditert-butylpiperidin-4-amine;1,4-ditert-butylpiperidine

3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;3-tert-butyl-1-(4,4-dimethylpentyl)azetidine;1-tert-butyl-N-(2,2-dimethylpropyl)piperidin-4-amine;N,1-ditert-butylpiperidin-4-amine;1,4-ditert-butylpiperidine (PubChem CID 159885184) has the molecular formula C120H250N10 and a molecular weight of 1833.39 g/mol. Its IUPAC name is 3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;3-tert-butyl-1-(4,4-dimethylpentyl)azetidine;1-tert-butyl-N-(2,2-dimethylpropyl)piperidin-4-amine;N,1-ditert-butylpiperidin-4-amine;1,4-ditert-butylpiperidine.

Molecular Properties

Compound Name3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;3-tert-butyl-1-(4,4-dimethylpentyl)azetidine;1-tert-butyl-N-(2,2-dimethylpropyl)piperidin-4-amine;N,1-ditert-butylpiperidin-4-amine;1,4-ditert-butylpiperidine
PubChem CID159885184
Molecular FormulaC120H250N10
Molecular Weight1833.39 g/mol
Exact Mass1831.99
IUPAC Name3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;3-tert-butyl-1-(4,4-dimethylpentyl)azetidine;1-tert-butyl-N-(2,2-dimethylpropyl)piperidin-4-amine;N,1-ditert-butylpiperidin-4-amine;1,4-ditert-butylpiperidine
SMILESCC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)CCCCCCCN1CC(C(C)(C)C)C1.CC(C)(C)CCCCCCN1CC(C(C)(C)C)C1.CC(C)(C)CCCCCN1CC(C(C)(C)C)C1.CC(C)(C)CCCCN1CC(C(C)(C)C)C1.CC(C)(C)CCCN1CC(C(C)(C)C)C1.CC(C)(C)CNC1CCN(C(C)(C)C)CC1.CC(C)(C)NC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C18H37N.C17H35N.C16H33N.C15H31N.C14H30N2.C14H29N.C13H28N2.C13H27N/c1-17(2,3)12-10-8-7-9-11-13-19-14-16(15-19)18(4,5)6;1-16(2,3)11-9-7-8-10-12-18-13-15(14-18)17(4,5)6;1-15(2,3)10-8-7-9-11-17-12-14(13-17)16(4,5)6;1-14(2,3)9-7-8-10-16-11-13(12-16)15(4,5)6;1-13(2,3)11-15-12-7-9-16(10-8-12)14(4,5)6;1-13(2,3)8-7-9-15-10-12(11-15)14(4,5)6;1-12(2,3)14-11-7-9-15(10-8-11)13(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h16H,7-15H2,1-6H3;15H,7-14H2,1-6H3;14H,7-13H2,1-6H3;13H,7-12H2,1-6H3;12,15H,7-11H2,1-6H3;12H,7-11H2,1-6H3;11,14H,7-10H2,1-6H3;11H,7-10H2,1-6H3
InChIKeyNUARQKHFFSSSRS-UHFFFAOYSA-N
XLogP31.92
TPSA49.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds28
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001833.39
LogP ≤ 531.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;3-tert-butyl-1-(4,4-dimethylpentyl)azetidine;1-tert-butyl-N-(2,2-dimethylpropyl)piperidin-4-amine;N,1-ditert-butylpiperidin-4-amine;1,4-ditert-butylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;3-tert-butyl-1-(4,4-dimethylpentyl)azetidine;1-tert-butyl-N-(2,2-dimethylpropyl)piperidin-4-amine;N,1-ditert-butylpiperidin-4-amine;1,4-ditert-butylpiperidine?
The IUPAC name of 3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;3-tert-butyl-1-(4,4-dimethylpentyl)azetidine;1-tert-butyl-N-(2,2-dimethylpropyl)piperidin-4-amine;N,1-ditert-butylpiperidin-4-amine;1,4-ditert-butylpiperidine (CID 159885184) is 3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;3-tert-butyl-1-(4,4-dimethylpentyl)azetidine;1-tert-butyl-N-(2,2-dimethylpropyl)piperidin-4-amine;N,1-ditert-butylpiperidin-4-amine;1,4-ditert-butylpiperidine.
What is the SMILES notation for 3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;3-tert-butyl-1-(4,4-dimethylpentyl)azetidine;1-tert-butyl-N-(2,2-dimethylpropyl)piperidin-4-amine;N,1-ditert-butylpiperidin-4-amine;1,4-ditert-butylpiperidine?
The canonical SMILES for 3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;3-tert-butyl-1-(4,4-dimethylpentyl)azetidine;1-tert-butyl-N-(2,2-dimethylpropyl)piperidin-4-amine;N,1-ditert-butylpiperidin-4-amine;1,4-ditert-butylpiperidine is CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)CCCCCCCN1CC(C(C)(C)C)C1.CC(C)(C)CCCCCCN1CC(C(C)(C)C)C1.CC(C)(C)CCCCCN1CC(C(C)(C)C)C1.CC(C)(C)CCCCN1CC(C(C)(C)C)C1.CC(C)(C)CCCN1CC(C(C)(C)C)C1.CC(C)(C)CNC1CCN(C(C)(C)C)CC1.CC(C)(C)NC1CCN(C(C)(C)C)CC1.
What is the InChIKey of 3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;3-tert-butyl-1-(4,4-dimethylpentyl)azetidine;1-tert-butyl-N-(2,2-dimethylpropyl)piperidin-4-amine;N,1-ditert-butylpiperidin-4-amine;1,4-ditert-butylpiperidine?
The InChIKey is NUARQKHFFSSSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N.C17H35N.C16H33N.C15H31N.C14H30N2.C14H29N.C13H28N2.C13H27N/c1-17(2,3)12-10-8-7-9-11-13-19-14-16(15-19)18(4,5)6;1-16(2,3)11-9-7-8-10-12-18-13-15(14-18)17(4,5)6;1-15(2,3)10-8-7-9-11-17-12-14(13-17)16(4,5)6;1-14(2,3)9-7-8-10-16-11-13(12-16)15(4,5)6;1-13(2,3)11-15-12-7-9-16(10-8-12)14(4,5)6;1-13(2,3)8-7-9-15-10-12(11-15)14(4,5)6;1-12(2,3)14-11-7-9-15(10-8-11)13(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h16H,7-15H2,1-6H3;15H,7-14H2,1-6H3;14H,7-13H2,1-6H3;13H,7-12H2,1-6H3;12,15H,7-11H2,1-6H3;12H,7-11H2,1-6H3;11,14H,7-10H2,1-6H3;11H,7-10H2,1-6H3.
What are the key properties of 3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;3-tert-butyl-1-(4,4-dimethylpentyl)azetidine;1-tert-butyl-N-(2,2-dimethylpropyl)piperidin-4-amine;N,1-ditert-butylpiperidin-4-amine;1,4-ditert-butylpiperidine?
3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;3-tert-butyl-1-(4,4-dimethylpentyl)azetidine;1-tert-butyl-N-(2,2-dimethylpropyl)piperidin-4-amine;N,1-ditert-butylpiperidin-4-amine;1,4-ditert-butylpiperidine has a molecular weight of 1833.39 g/mol, XLogP of 31.92, 28 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;3-tert-butyl-1-(4,4-dimethylpentyl)azetidine;1-tert-butyl-N-(2,2-dimethylpropyl)piperidin-4-amine;N,1-ditert-butylpiperidin-4-amine;1,4-ditert-butylpiperidine is sourced from PubChem (CID 159885184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).