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

C21H44N4 — CID 143467520

IUPAC(Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine;methanamine
SMILESCCC(/C=C\CNCC1CCCCC1)N(N)CC1CCCCC1.CN
InChIInChI=1S/C20H39N3.CH5N/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;1-2/h9,14,18-20,22H,2-8,10-13,15-17,21H2,1H3;2H2,1H3/b14-9-;
InChIKeyUWDSWRREHVJJBW-WQRRWHLMSA-N
MW352.61 g/mol
LogP3.82
Rot. Bonds9

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

(Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine;methanamine (PubChem CID 143467520) has the molecular formula C21H44N4 and a molecular weight of 352.61 g/mol. Its IUPAC name is (Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine;methanamine.

Molecular Properties

Compound Name(Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine;methanamine
PubChem CID143467520
Molecular FormulaC21H44N4
Molecular Weight352.61 g/mol
Exact Mass352.36
IUPAC Name(Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine;methanamine
SMILESCCC(/C=C\CNCC1CCCCC1)N(N)CC1CCCCC1.CN
InChIInChI=1S/C20H39N3.CH5N/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;1-2/h9,14,18-20,22H,2-8,10-13,15-17,21H2,1H3;2H2,1H3/b14-9-;
InChIKeyUWDSWRREHVJJBW-WQRRWHLMSA-N
XLogP3.82
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.61
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

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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
4-[2-[4-[2-(4-aminocyclohexyl)ethyl]cyclohex-2-en-1-yl]ethyl]-N-(4-methylcyclohexyl)cyclohex-2-en-1-amine
CID 90309821
N-(3-cyclohex-2-en-1-ylpropyl)-1-cyclohexylpropan-2-amine
CID 141784580
4-(2,6-dimethyl-3,6-dihydro-1H-pyridazin-3-yl)cyclohexan-1-amine
CID 143438303
butan-2-amine;N-(cyclohexylmethyl)ethanamine;ethane;methylcyclohexane;(3R)-3-methylpent-1-ene
CID 144335348
2,3-dicyclohexyl-N-propan-2-ylprop-2-en-1-amine
CID 80402620
N-[[(1R)-4-[(cyclohexylamino)methyl]cyclohex-3-en-1-yl]methyl]cyclohexanamine
CID 124304217
N-[[(1S)-4-[(cyclohexylamino)methyl]cyclohex-3-en-1-yl]methyl]cyclohexanamine
CID 124304218
(Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine
CID 143467521

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine;methanamine?
The IUPAC name of (Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine;methanamine (CID 143467520) is (Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine;methanamine.
What is the SMILES notation for (Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine;methanamine?
The canonical SMILES for (Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine;methanamine is CCC(/C=C\CNCC1CCCCC1)N(N)CC1CCCCC1.CN.
What is the InChIKey of (Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine;methanamine?
The InChIKey is UWDSWRREHVJJBW-WQRRWHLMSA-N. The full InChI is InChI=1S/C20H39N3.CH5N/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;1-2/h9,14,18-20,22H,2-8,10-13,15-17,21H2,1H3;2H2,1H3/b14-9-;.
What are the key properties of (Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine;methanamine?
(Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine;methanamine has a molecular weight of 352.61 g/mol, XLogP of 3.82, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[amino(cyclohexylmethyl)amino]-N-(cyclohexylmethyl)hex-2-en-1-amine;methanamine is sourced from PubChem (CID 143467520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).