1-tert-butyl-N-(4,4-dimethylcycloheptyl)piperidin-4-amine

C18H36N2 — CID 65083690

IUPAC1-tert-butyl-N-(4,4-dimethylcycloheptyl)piperidin-4-amine
SMILESCC1(C)CCCC(NC2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C18H36N2/c1-17(2,3)20-13-9-16(10-14-20)19-15-7-6-11-18(4,5)12-8-15/h15-16,19H,6-14H2,1-5H3
InChIKeyOXUUSWDIWZSMRQ-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.20
Rot. Bonds2

About 1-tert-butyl-N-(4,4-dimethylcycloheptyl)piperidin-4-amine

1-tert-butyl-N-(4,4-dimethylcycloheptyl)piperidin-4-amine (PubChem CID 65083690) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-tert-butyl-N-(4,4-dimethylcycloheptyl)piperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(4,4-dimethylcycloheptyl)piperidin-4-amine
PubChem CID65083690
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1-tert-butyl-N-(4,4-dimethylcycloheptyl)piperidin-4-amine
SMILESCC1(C)CCCC(NC2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C18H36N2/c1-17(2,3)20-13-9-16(10-14-20)19-15-7-6-11-18(4,5)12-8-15/h15-16,19H,6-14H2,1-5H3
InChIKeyOXUUSWDIWZSMRQ-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(4,4-dimethylcycloheptyl)piperidin-4-amine?
The IUPAC name of 1-tert-butyl-N-(4,4-dimethylcycloheptyl)piperidin-4-amine (CID 65083690) is 1-tert-butyl-N-(4,4-dimethylcycloheptyl)piperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-(4,4-dimethylcycloheptyl)piperidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-(4,4-dimethylcycloheptyl)piperidin-4-amine is CC1(C)CCCC(NC2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-tert-butyl-N-(4,4-dimethylcycloheptyl)piperidin-4-amine?
The InChIKey is OXUUSWDIWZSMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-17(2,3)20-13-9-16(10-14-20)19-15-7-6-11-18(4,5)12-8-15/h15-16,19H,6-14H2,1-5H3.
What are the key properties of 1-tert-butyl-N-(4,4-dimethylcycloheptyl)piperidin-4-amine?
1-tert-butyl-N-(4,4-dimethylcycloheptyl)piperidin-4-amine has a molecular weight of 280.50 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(4,4-dimethylcycloheptyl)piperidin-4-amine is sourced from PubChem (CID 65083690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).