1-[amino(cyclohexen-1-yl)methyl]-N,N-diethylcyclopentan-1-amine

C16H30N2 — CID 106653676

IUPAC1-[amino(cyclohexen-1-yl)methyl]-N,N-diethylcyclopentan-1-amine
SMILESCCN(CC)C1(C(N)C2=CCCCC2)CCCC1
InChIInChI=1S/C16H30N2/c1-3-18(4-2)16(12-8-9-13-16)15(17)14-10-6-5-7-11-14/h10,15H,3-9,11-13,17H2,1-2H3
InChIKeyXUACEKKDHMOMFA-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.47
Rot. Bonds5

About 1-[amino(cyclohexen-1-yl)methyl]-N,N-diethylcyclopentan-1-amine

1-[amino(cyclohexen-1-yl)methyl]-N,N-diethylcyclopentan-1-amine (PubChem CID 106653676) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-[amino(cyclohexen-1-yl)methyl]-N,N-diethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[amino(cyclohexen-1-yl)methyl]-N,N-diethylcyclopentan-1-amine
PubChem CID106653676
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-[amino(cyclohexen-1-yl)methyl]-N,N-diethylcyclopentan-1-amine
SMILESCCN(CC)C1(C(N)C2=CCCCC2)CCCC1
InChIInChI=1S/C16H30N2/c1-3-18(4-2)16(12-8-9-13-16)15(17)14-10-6-5-7-11-14/h10,15H,3-9,11-13,17H2,1-2H3
InChIKeyXUACEKKDHMOMFA-UHFFFAOYSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[amino(cyclohexen-1-yl)methyl]-N,N-diethylcyclopentan-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

1-[cyclohexen-1-yl(hydrazinyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 106649202
1-[amino(cyclohepten-1-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 106653714
1-[amino-(2,4,5-trimethylphenyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79059138
1-[cyclohepten-1-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 106653712
1-[amino-(3-bromo-2,6-difluorophenyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 106942748
1-(cyclohexen-1-yl)butan-1-amine
CID 62079375
1-[amino-(4-bromothiophen-3-yl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79601627
1-[amino-(1-methylpyrazol-4-yl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79069951
1-(cyclohepten-1-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
CID 106653542
cyclohexen-1-yl-(1-piperidin-1-ylcyclopentyl)methanamine
CID 106653694
1-[amino-(2-ethoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79059165
1-[amino-(6-methyl-3-pyridinyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79070030

Frequently Asked Questions

What is the IUPAC name of 1-[amino(cyclohexen-1-yl)methyl]-N,N-diethylcyclopentan-1-amine?
The IUPAC name of 1-[amino(cyclohexen-1-yl)methyl]-N,N-diethylcyclopentan-1-amine (CID 106653676) is 1-[amino(cyclohexen-1-yl)methyl]-N,N-diethylcyclopentan-1-amine.
What is the SMILES notation for 1-[amino(cyclohexen-1-yl)methyl]-N,N-diethylcyclopentan-1-amine?
The canonical SMILES for 1-[amino(cyclohexen-1-yl)methyl]-N,N-diethylcyclopentan-1-amine is CCN(CC)C1(C(N)C2=CCCCC2)CCCC1.
What is the InChIKey of 1-[amino(cyclohexen-1-yl)methyl]-N,N-diethylcyclopentan-1-amine?
The InChIKey is XUACEKKDHMOMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-3-18(4-2)16(12-8-9-13-16)15(17)14-10-6-5-7-11-14/h10,15H,3-9,11-13,17H2,1-2H3.
What are the key properties of 1-[amino(cyclohexen-1-yl)methyl]-N,N-diethylcyclopentan-1-amine?
1-[amino(cyclohexen-1-yl)methyl]-N,N-diethylcyclopentan-1-amine has a molecular weight of 250.43 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(cyclohexen-1-yl)methyl]-N,N-diethylcyclopentan-1-amine is sourced from PubChem (CID 106653676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).