N-(3-cyclohexylpropyl)-6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-amine

C25H41NO — CID 159889463

IUPACN-(3-cyclohexylpropyl)-6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-amine
SMILESCOc1ccc(C(C)(C)CC(C=C(C)C)NCCCC2CCCCC2)cc1
InChIInChI=1S/C25H41NO/c1-20(2)18-23(26-17-9-12-21-10-7-6-8-11-21)19-25(3,4)22-13-15-24(27-5)16-14-22/h13-16,18,21,23,26H,6-12,17,19H2,1-5H3
InChIKeyCXDQJHNHXWALBN-UHFFFAOYSA-N
MW371.61 g/mol
LogP6.65
Rot. Bonds10

About N-(3-cyclohexylpropyl)-6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-amine

N-(3-cyclohexylpropyl)-6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-amine (PubChem CID 159889463) has the molecular formula C25H41NO and a molecular weight of 371.61 g/mol. Its IUPAC name is N-(3-cyclohexylpropyl)-6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-amine.

Molecular Properties

Compound NameN-(3-cyclohexylpropyl)-6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-amine
PubChem CID159889463
Molecular FormulaC25H41NO
Molecular Weight371.61 g/mol
Exact Mass371.32
IUPAC NameN-(3-cyclohexylpropyl)-6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-amine
SMILESCOc1ccc(C(C)(C)CC(C=C(C)C)NCCCC2CCCCC2)cc1
InChIInChI=1S/C25H41NO/c1-20(2)18-23(26-17-9-12-21-10-7-6-8-11-21)19-25(3,4)22-13-15-24(27-5)16-14-22/h13-16,18,21,23,26H,6-12,17,19H2,1-5H3
InChIKeyCXDQJHNHXWALBN-UHFFFAOYSA-N
XLogP6.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.61
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-cyclohexylpropyl)-6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-amine?
The IUPAC name of N-(3-cyclohexylpropyl)-6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-amine (CID 159889463) is N-(3-cyclohexylpropyl)-6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-amine.
What is the SMILES notation for N-(3-cyclohexylpropyl)-6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-amine?
The canonical SMILES for N-(3-cyclohexylpropyl)-6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-amine is COc1ccc(C(C)(C)CC(C=C(C)C)NCCCC2CCCCC2)cc1.
What is the InChIKey of N-(3-cyclohexylpropyl)-6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-amine?
The InChIKey is CXDQJHNHXWALBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41NO/c1-20(2)18-23(26-17-9-12-21-10-7-6-8-11-21)19-25(3,4)22-13-15-24(27-5)16-14-22/h13-16,18,21,23,26H,6-12,17,19H2,1-5H3.
What are the key properties of N-(3-cyclohexylpropyl)-6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-amine?
N-(3-cyclohexylpropyl)-6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-amine has a molecular weight of 371.61 g/mol, XLogP of 6.65, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylpropyl)-6-(4-methoxyphenyl)-2,6-dimethylhept-2-en-4-amine is sourced from PubChem (CID 159889463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).