1-[amino(cyclohepten-1-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine

C17H32N2 — CID 106653714

IUPAC1-[amino(cyclohepten-1-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(C(N)C2=CCCCCC2)(N(C)C)CC1
InChIInChI=1S/C17H32N2/c1-14-10-12-17(13-11-14,19(2)3)16(18)15-8-6-4-5-7-9-15/h8,14,16H,4-7,9-13,18H2,1-3H3
InChIKeyKBPPHNVHEYVTOD-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.71
Rot. Bonds3

About 1-[amino(cyclohepten-1-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine

1-[amino(cyclohepten-1-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine (PubChem CID 106653714) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-[amino(cyclohepten-1-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[amino(cyclohepten-1-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine
PubChem CID106653714
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1-[amino(cyclohepten-1-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(C(N)C2=CCCCCC2)(N(C)C)CC1
InChIInChI=1S/C17H32N2/c1-14-10-12-17(13-11-14,19(2)3)16(18)15-8-6-4-5-7-9-15/h8,14,16H,4-7,9-13,18H2,1-3H3
InChIKeyKBPPHNVHEYVTOD-UHFFFAOYSA-N
XLogP3.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[cycloocten-1-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 106649218
1-[cyclohexen-1-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 106649217
1-[amino(cyclohexen-1-yl)methyl]-N,N-diethylcyclopentan-1-amine
CID 106653676
cyclohepten-1-yl-(3-methylcyclohexyl)methanamine
CID 106652734
cyclohepten-1-yl(cyclopentyl)methanamine
CID 62079813
cyclohepten-1-yl(cyclooctyl)methanamine
CID 65018804
1-(cyclohepten-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 106653532
1-[3,4-dihydro-2H-pyran-5-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 105243404
1-[amino-(3,4-dichlorophenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79074952
cyclohepten-1-yl-(4-methoxyoxan-4-yl)methanamine
CID 106654606
[cycloocten-1-yl-(3-methylcyclopentyl)methyl]hydrazine
CID 106649073
cyclohepten-1-yl-(1-phenylcyclopropyl)methanamine
CID 62881918

Frequently Asked Questions

What is the IUPAC name of 1-[amino(cyclohepten-1-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[amino(cyclohepten-1-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine (CID 106653714) is 1-[amino(cyclohepten-1-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[amino(cyclohepten-1-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[amino(cyclohepten-1-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine is CC1CCC(C(N)C2=CCCCCC2)(N(C)C)CC1.
What is the InChIKey of 1-[amino(cyclohepten-1-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine?
The InChIKey is KBPPHNVHEYVTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-14-10-12-17(13-11-14,19(2)3)16(18)15-8-6-4-5-7-9-15/h8,14,16H,4-7,9-13,18H2,1-3H3.
What are the key properties of 1-[amino(cyclohepten-1-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine?
1-[amino(cyclohepten-1-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine has a molecular weight of 264.46 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(cyclohepten-1-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 106653714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).