(Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine

C20H39N3 — CID 143467521

IUPAC(Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine
SMILESCCC(/C=C\CNCC1CCCCC1)N(N)CC1CCCCC1
InChIInChI=1S/C20H39N3/c1-2-20(23(21)17-19-12-7-4-8-13-19)14-9-15-22-16-18-10-5-3-6-11-18/h9,14,18-20,22H,2-8,10-13,15-17,21H2,1H3/b14-9-
InChIKeyQAFYSXLRMZOSBN-ZROIWOOFSA-N
MW321.55 g/mol
LogP4.25
Rot. Bonds9

About (Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine

(Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine (PubChem CID 143467521) has the molecular formula C20H39N3 and a molecular weight of 321.55 g/mol. Its IUPAC name is (Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine.

Molecular Properties

Compound Name(Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine
PubChem CID143467521
Molecular FormulaC20H39N3
Molecular Weight321.55 g/mol
Exact Mass321.31
IUPAC Name(Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine
SMILESCCC(/C=C\CNCC1CCCCC1)N(N)CC1CCCCC1
InChIInChI=1S/C20H39N3/c1-2-20(23(21)17-19-12-7-4-8-13-19)14-9-15-22-16-18-10-5-3-6-11-18/h9,14,18-20,22H,2-8,10-13,15-17,21H2,1H3/b14-9-
InChIKeyQAFYSXLRMZOSBN-ZROIWOOFSA-N
XLogP4.25
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.55
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-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-[[4-[(cyclohexylamino)methyl]cyclohex-3-en-1-yl]methyl]cyclohexanamine
CID 102745
2-(cyclohexylmethylidene)-N-(2-ethylpentyl)cyclohexan-1-amine
CID 68125188
(1S,4R)-1-N,1-N-bis(2-ethylhexyl)-5-methylcyclohex-2-ene-1,4-diamine
CID 89794029
4-[2-[4-[2-(4-aminocyclohexyl)ethyl]cyclohex-2-en-1-yl]ethyl]-N-(4-methylcyclohexyl)cyclohex-2-en-1-amine
CID 90309821
N-(cyclohexylmethyl)cyclohex-2-en-1-amine
CID 115757132
1-N-(3-cyclohexylpropyl)-5-N,7-dimethyl-1-N-propyldodec-3-ene-1,5-diamine
CID 123323525
N-(cyclohexa-1,4-dien-1-ylmethyl)-1-cyclohexylpropan-2-amine
CID 123402706
N-[3-(1-aminoethyl)cyclohexyl]cyclohex-2-en-1-amine
CID 137402789
N-[4-(2-cyclohexylethenyl)cyclohexyl]-4-methylcyclohexan-1-amine
CID 140443032
2,6-bis[(E)-2-cyclohexylethenyl]piperidine
CID 140484297
N-(3-cyclohex-2-en-1-ylpropyl)-1-cyclohexylpropan-2-amine
CID 141784580
ethane;6-[1-[4-[(Z)-2-methyloct-6-enyl]cyclohex-2-en-1-yl]propan-2-yl]-1,2,3,6-tetrahydropyridine
CID 143259800

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine?
The IUPAC name of (Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine (CID 143467521) is (Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine.
What is the SMILES notation for (Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine?
The canonical SMILES for (Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine is CCC(/C=C\CNCC1CCCCC1)N(N)CC1CCCCC1.
What is the InChIKey of (Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine?
The InChIKey is QAFYSXLRMZOSBN-ZROIWOOFSA-N. The full InChI is InChI=1S/C20H39N3/c1-2-20(23(21)17-19-12-7-4-8-13-19)14-9-15-22-16-18-10-5-3-6-11-18/h9,14,18-20,22H,2-8,10-13,15-17,21H2,1H3/b14-9-.
What are the key properties of (Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine?
(Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine has a molecular weight of 321.55 g/mol, XLogP of 4.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine is sourced from PubChem (CID 143467521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).