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

C27H49N — CID 142281836

IUPACN,N-dimethyl-4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine
SMILESCCCCCC1CCC(/C=C/C2CCC(C3CCC(N(C)C)CC3)CC2)CC1
InChIInChI=1S/C27H49N/c1-4-5-6-7-22-8-10-23(11-9-22)12-13-24-14-16-25(17-15-24)26-18-20-27(21-19-26)28(2)3/h12-13,22-27H,4-11,14-21H2,1-3H3/b13-12+
InChIKeyRYKUCYIEQVWXOA-OUKQBFOZSA-N
MW387.70 g/mol
LogP7.86
Rot. Bonds8

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

N,N-dimethyl-4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine (PubChem CID 142281836) has the molecular formula C27H49N and a molecular weight of 387.70 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine
PubChem CID142281836
Molecular FormulaC27H49N
Molecular Weight387.70 g/mol
Exact Mass387.39
IUPAC NameN,N-dimethyl-4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine
SMILESCCCCCC1CCC(/C=C/C2CCC(C3CCC(N(C)C)CC3)CC2)CC1
InChIInChI=1S/C27H49N/c1-4-5-6-7-22-8-10-23(11-9-22)12-13-24-14-16-25(17-15-24)26-18-20-27(21-19-26)28(2)3/h12-13,22-27H,4-11,14-21H2,1-3H3/b13-12+
InChIKeyRYKUCYIEQVWXOA-OUKQBFOZSA-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'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine (CID 142281836) is N,N-dimethyl-4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine is CCCCCC1CCC(/C=C/C2CCC(C3CCC(N(C)C)CC3)CC2)CC1.
What is the InChIKey of N,N-dimethyl-4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine?
The InChIKey is RYKUCYIEQVWXOA-OUKQBFOZSA-N. The full InChI is InChI=1S/C27H49N/c1-4-5-6-7-22-8-10-23(11-9-22)12-13-24-14-16-25(17-15-24)26-18-20-27(21-19-26)28(2)3/h12-13,22-27H,4-11,14-21H2,1-3H3/b13-12+.
What are the key properties of N,N-dimethyl-4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine?
N,N-dimethyl-4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]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-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine is sourced from PubChem (CID 142281836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).