N-tert-butyl-N-[(4-ethenylcyclohexyl)methyl]-2-methylpropan-1-amine;formamide

C18H36N2O — CID 174938852

IUPACN-tert-butyl-N-[(4-ethenylcyclohexyl)methyl]-2-methylpropan-1-amine;formamide
SMILESC=CC1CCC(CN(CC(C)C)C(C)(C)C)CC1.NC=O
InChIInChI=1S/C17H33N.CH3NO/c1-7-15-8-10-16(11-9-15)13-18(12-14(2)3)17(4,5)6;2-1-3/h7,14-16H,1,8-13H2,2-6H3;1H,(H2,2,3)
InChIKeyXIUOBWYDSMLZMJ-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.84
Rot. Bonds5

About N-tert-butyl-N-[(4-ethenylcyclohexyl)methyl]-2-methylpropan-1-amine;formamide

N-tert-butyl-N-[(4-ethenylcyclohexyl)methyl]-2-methylpropan-1-amine;formamide (PubChem CID 174938852) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N-tert-butyl-N-[(4-ethenylcyclohexyl)methyl]-2-methylpropan-1-amine;formamide.

Molecular Properties

Compound NameN-tert-butyl-N-[(4-ethenylcyclohexyl)methyl]-2-methylpropan-1-amine;formamide
PubChem CID174938852
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN-tert-butyl-N-[(4-ethenylcyclohexyl)methyl]-2-methylpropan-1-amine;formamide
SMILESC=CC1CCC(CN(CC(C)C)C(C)(C)C)CC1.NC=O
InChIInChI=1S/C17H33N.CH3NO/c1-7-15-8-10-16(11-9-15)13-18(12-14(2)3)17(4,5)6;2-1-3/h7,14-16H,1,8-13H2,2-6H3;1H,(H2,2,3)
InChIKeyXIUOBWYDSMLZMJ-UHFFFAOYSA-N
XLogP3.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[(4-ethenylcyclohexyl)methyl]-2-methylpropan-1-amine;formamide?
The IUPAC name of N-tert-butyl-N-[(4-ethenylcyclohexyl)methyl]-2-methylpropan-1-amine;formamide (CID 174938852) is N-tert-butyl-N-[(4-ethenylcyclohexyl)methyl]-2-methylpropan-1-amine;formamide.
What is the SMILES notation for N-tert-butyl-N-[(4-ethenylcyclohexyl)methyl]-2-methylpropan-1-amine;formamide?
The canonical SMILES for N-tert-butyl-N-[(4-ethenylcyclohexyl)methyl]-2-methylpropan-1-amine;formamide is C=CC1CCC(CN(CC(C)C)C(C)(C)C)CC1.NC=O.
What is the InChIKey of N-tert-butyl-N-[(4-ethenylcyclohexyl)methyl]-2-methylpropan-1-amine;formamide?
The InChIKey is XIUOBWYDSMLZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N.CH3NO/c1-7-15-8-10-16(11-9-15)13-18(12-14(2)3)17(4,5)6;2-1-3/h7,14-16H,1,8-13H2,2-6H3;1H,(H2,2,3).
What are the key properties of N-tert-butyl-N-[(4-ethenylcyclohexyl)methyl]-2-methylpropan-1-amine;formamide?
N-tert-butyl-N-[(4-ethenylcyclohexyl)methyl]-2-methylpropan-1-amine;formamide has a molecular weight of 296.50 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[(4-ethenylcyclohexyl)methyl]-2-methylpropan-1-amine;formamide is sourced from PubChem (CID 174938852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).