N,N-dimethyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine

C27H49N — CID 142282765

IUPACN,N-dimethyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine
SMILESCCCCCC1CCC(C2CCC(/C=C/C3CCC(N(C)C)CC3)CC2)CC1
InChIInChI=1S/C27H49N/c1-4-5-6-7-22-10-16-25(17-11-22)26-18-12-23(13-19-26)8-9-24-14-20-27(21-15-24)28(2)3/h8-9,22-27H,4-7,10-21H2,1-3H3/b9-8+
InChIKeyVRNOESGQMQDKDZ-CMDGGOBGSA-N
MW387.70 g/mol
LogP7.86
Rot. Bonds8

About N,N-dimethyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine

N,N-dimethyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine (PubChem CID 142282765) has the molecular formula C27H49N and a molecular weight of 387.70 g/mol. Its IUPAC name is N,N-dimethyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine
PubChem CID142282765
Molecular FormulaC27H49N
Molecular Weight387.70 g/mol
Exact Mass387.39
IUPAC NameN,N-dimethyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine
SMILESCCCCCC1CCC(C2CCC(/C=C/C3CCC(N(C)C)CC3)CC2)CC1
InChIInChI=1S/C27H49N/c1-4-5-6-7-22-10-16-25(17-11-22)26-18-12-23(13-19-26)8-9-24-14-20-27(21-15-24)28(2)3/h8-9,22-27H,4-7,10-21H2,1-3H3/b9-8+
InChIKeyVRNOESGQMQDKDZ-CMDGGOBGSA-N
XLogP7.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.70
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine with MolForge

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Related Compounds

2,7-Methanonaphthalen-3-amine, 1,2,3,4,4a,7,8,8a-octahydro-N,N-dimethyl-, (2alpha,3alpha,4abeta,7alpha,8abeta)-
CID 551545
1,2-Bis(6-cyclohexylhex-3-enyl)piperidine
CID 54061458
5-hept-1-enyl-N,N,2,4-tetramethylcyclohexan-1-amine
CID 54380899
1,1,2-tricyclohexyl-2-cyclopent-3-en-1-ylidene-N,N-dimethylethanamine
CID 57192275
N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine
CID 59916878
(2S)-2-cyclohex-2-en-1-yl-N,N-dimethylcyclohexan-1-amine
CID 70971272
N,N-dicyclohexyl-4-[4-[4-[1-cyclohexyl-1-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]propan-2-yl]cyclohexyl]cyclohexyl]cyclohexan-1-amine
CID 71090703
N-(4-cyclohex-3-en-1-ylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexan-1-amine
CID 71206227
1-Isothiocyanato-4-[4-[2-(4-methylcyclohexyl)ethenyl]cyclohexyl]cyclohexane
CID 89201346
5-[(4R)-4-butyl-5-methylcyclohex-2-en-1-yl]-12-heptan-3-yl-11-methyl-8-N,8-N-bis(4-methylcyclohexyl)-2-N-(6-methylheptan-3-yl)-2-N-octan-4-yl-1,2,3,4,4a,5,6,7,8,9,10,11,12,12a-tetradecahydrobenzo[10]annulene-2,8-diamine
CID 89247134
N-cyclohex-2-en-1-yl-N-cyclohex-3-en-1-yl-4-(6-methylhepta-1,5-dien-3-yl)cyclohex-3-en-1-amine
CID 89264864
N,N-dimethyl-4-[(13Z,16Z)-4-[(Z)-octadec-9-enyl]docosa-1,13,16-trien-2-yl]cyclohexan-1-amine
CID 121476979

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine (CID 142282765) is N,N-dimethyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine is CCCCCC1CCC(C2CCC(/C=C/C3CCC(N(C)C)CC3)CC2)CC1.
What is the InChIKey of N,N-dimethyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine?
The InChIKey is VRNOESGQMQDKDZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C27H49N/c1-4-5-6-7-22-10-16-25(17-11-22)26-18-12-23(13-19-26)8-9-24-14-20-27(21-15-24)28(2)3/h8-9,22-27H,4-7,10-21H2,1-3H3/b9-8+.
What are the key properties of N,N-dimethyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine?
N,N-dimethyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine has a molecular weight of 387.70 g/mol, XLogP of 7.86, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine is sourced from PubChem (CID 142282765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).