(Z,2E)-N-(cyclohexylmethyl)-2-ethylidene-N-hexyl-5-methoxypent-3-en-1-amine

C21H39NO — CID 142550079

IUPAC(Z,2E)-N-(cyclohexylmethyl)-2-ethylidene-N-hexyl-5-methoxypent-3-en-1-amine
SMILESC/C=C(\C=C/COC)CN(CCCCCC)CC1CCCCC1
InChIInChI=1S/C21H39NO/c1-4-6-7-11-16-22(19-21-13-9-8-10-14-21)18-20(5-2)15-12-17-23-3/h5,12,15,21H,4,6-11,13-14,16-19H2,1-3H3/b15-12-,20-5+
InChIKeyDCGMPEJTHFEJOA-IKHRSAQBSA-N
MW321.55 g/mol
LogP5.60
Rot. Bonds12

About (Z,2E)-N-(cyclohexylmethyl)-2-ethylidene-N-hexyl-5-methoxypent-3-en-1-amine

(Z,2E)-N-(cyclohexylmethyl)-2-ethylidene-N-hexyl-5-methoxypent-3-en-1-amine (PubChem CID 142550079) has the molecular formula C21H39NO and a molecular weight of 321.55 g/mol. Its IUPAC name is (Z,2E)-N-(cyclohexylmethyl)-2-ethylidene-N-hexyl-5-methoxypent-3-en-1-amine.

Molecular Properties

Compound Name(Z,2E)-N-(cyclohexylmethyl)-2-ethylidene-N-hexyl-5-methoxypent-3-en-1-amine
PubChem CID142550079
Molecular FormulaC21H39NO
Molecular Weight321.55 g/mol
Exact Mass321.30
IUPAC Name(Z,2E)-N-(cyclohexylmethyl)-2-ethylidene-N-hexyl-5-methoxypent-3-en-1-amine
SMILESC/C=C(\C=C/COC)CN(CCCCCC)CC1CCCCC1
InChIInChI=1S/C21H39NO/c1-4-6-7-11-16-22(19-21-13-9-8-10-14-21)18-20(5-2)15-12-17-23-3/h5,12,15,21H,4,6-11,13-14,16-19H2,1-3H3/b15-12-,20-5+
InChIKeyDCGMPEJTHFEJOA-IKHRSAQBSA-N
XLogP5.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.55
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z,2E)-N-(cyclohexylmethyl)-2-ethylidene-N-hexyl-5-methoxypent-3-en-1-amine with MolForge

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Related Compounds

1-(2-cyclohexylethyl)-4-methyl-5-[(Z)-3-(2,2,2-trifluoroethoxy)prop-1-enyl]-2,3,6,7-tetrahydroazepine
CID 145451311
N-(3,7-dimethyloct-6-enyl)-4-methoxy-N-octylcyclohexa-1,5-dien-1-amine
CID 138518681
N-(cyclohexylmethyl)-4-methoxy-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine
CID 138519060
(2E,4Z)-N-[(E)-3-cyclohexylprop-2-enyl]-N-methyl-3-methylidene-2-(propoxymethylidene)hepta-4,6-dien-1-amine
CID 139539943
butane;(Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine;propane
CID 142549968
Diethyl-heptyl-[4-[4-methoxy-6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]but-2-enyl]azanium
CID 173409958
N-[(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methyl]-8-octyl-N-tetradecylhexadecan-1-amine
CID 170755329

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-N-(cyclohexylmethyl)-2-ethylidene-N-hexyl-5-methoxypent-3-en-1-amine?
The IUPAC name of (Z,2E)-N-(cyclohexylmethyl)-2-ethylidene-N-hexyl-5-methoxypent-3-en-1-amine (CID 142550079) is (Z,2E)-N-(cyclohexylmethyl)-2-ethylidene-N-hexyl-5-methoxypent-3-en-1-amine.
What is the SMILES notation for (Z,2E)-N-(cyclohexylmethyl)-2-ethylidene-N-hexyl-5-methoxypent-3-en-1-amine?
The canonical SMILES for (Z,2E)-N-(cyclohexylmethyl)-2-ethylidene-N-hexyl-5-methoxypent-3-en-1-amine is C/C=C(\C=C/COC)CN(CCCCCC)CC1CCCCC1.
What is the InChIKey of (Z,2E)-N-(cyclohexylmethyl)-2-ethylidene-N-hexyl-5-methoxypent-3-en-1-amine?
The InChIKey is DCGMPEJTHFEJOA-IKHRSAQBSA-N. The full InChI is InChI=1S/C21H39NO/c1-4-6-7-11-16-22(19-21-13-9-8-10-14-21)18-20(5-2)15-12-17-23-3/h5,12,15,21H,4,6-11,13-14,16-19H2,1-3H3/b15-12-,20-5+.
What are the key properties of (Z,2E)-N-(cyclohexylmethyl)-2-ethylidene-N-hexyl-5-methoxypent-3-en-1-amine?
(Z,2E)-N-(cyclohexylmethyl)-2-ethylidene-N-hexyl-5-methoxypent-3-en-1-amine has a molecular weight of 321.55 g/mol, XLogP of 5.60, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-N-(cyclohexylmethyl)-2-ethylidene-N-hexyl-5-methoxypent-3-en-1-amine is sourced from PubChem (CID 142550079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).