1-[cyclohepten-1-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine

C19H36N2 — CID 106653712

IUPAC1-[cyclohepten-1-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCCCNC(C1=CCCCCC1)C1(N(C)C)CCCCC1
InChIInChI=1S/C19H36N2/c1-4-16-20-18(17-12-8-5-6-9-13-17)19(21(2)3)14-10-7-11-15-19/h12,18,20H,4-11,13-16H2,1-3H3
InChIKeyRJTLMXILGDOJHE-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.51
Rot. Bonds6

About 1-[cyclohepten-1-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine

1-[cyclohepten-1-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 106653712) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 1-[cyclohepten-1-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[cyclohepten-1-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID106653712
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name1-[cyclohepten-1-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCCCNC(C1=CCCCCC1)C1(N(C)C)CCCCC1
InChIInChI=1S/C19H36N2/c1-4-16-20-18(17-12-8-5-6-9-13-17)19(21(2)3)14-10-7-11-15-19/h12,18,20H,4-11,13-16H2,1-3H3
InChIKeyRJTLMXILGDOJHE-UHFFFAOYSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[cyclohepten-1-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[cyclohexen-1-yl-(1-ethoxycyclohexyl)methyl]propan-1-amine
CID 106654605
1-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 102647750
N-[cycloocten-1-yl-(1-methylcyclopentyl)methyl]ethanamine
CID 106656551
1-[2,3-dihydrofuran-5-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 102651857
N-[cyclohexen-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 106654677
N,N-dimethyl-1-[(4-methylphenyl)-(propylamino)methyl]cyclopentan-1-amine
CID 79070156
1-[cyclohexen-1-yl(hydrazinyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 106649202
N-[cyclohepten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 66477456
1-[furan-2-yl(propylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79080475
1-(cyclohexen-1-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106827010
N,N-dimethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine
CID 79069924
1-[(1-ethylpyrazol-4-yl)-(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79061750

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohepten-1-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[cyclohepten-1-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine (CID 106653712) is 1-[cyclohepten-1-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[cyclohepten-1-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[cyclohepten-1-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine is CCCNC(C1=CCCCCC1)C1(N(C)C)CCCCC1.
What is the InChIKey of 1-[cyclohepten-1-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is RJTLMXILGDOJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-4-16-20-18(17-12-8-5-6-9-13-17)19(21(2)3)14-10-7-11-15-19/h12,18,20H,4-11,13-16H2,1-3H3.
What are the key properties of 1-[cyclohepten-1-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
1-[cyclohepten-1-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 292.51 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohepten-1-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 106653712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).