2-cyclohexyl-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine

C22H38N2 — CID 142454527

IUPAC2-cyclohexyl-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine
SMILESCCC1C=CC(/N=C(\C)CCC(CNC)C2CCCCC2)=C(C)C1
InChIInChI=1S/C22H38N2/c1-5-19-12-14-22(17(2)15-19)24-18(3)11-13-21(16-23-4)20-9-7-6-8-10-20/h12,14,19-21,23H,5-11,13,15-16H2,1-4H3/b24-18+
InChIKeyYVELVDQVOVBLGQ-HKOYGPOVSA-N
MW330.56 g/mol
LogP5.90
Rot. Bonds8

About 2-cyclohexyl-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine

2-cyclohexyl-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine (PubChem CID 142454527) has the molecular formula C22H38N2 and a molecular weight of 330.56 g/mol. Its IUPAC name is 2-cyclohexyl-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine
PubChem CID142454527
Molecular FormulaC22H38N2
Molecular Weight330.56 g/mol
Exact Mass330.30
IUPAC Name2-cyclohexyl-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine
SMILESCCC1C=CC(/N=C(\C)CCC(CNC)C2CCCCC2)=C(C)C1
InChIInChI=1S/C22H38N2/c1-5-19-12-14-22(17(2)15-19)24-18(3)11-13-21(16-23-4)20-9-7-6-8-10-20/h12,14,19-21,23H,5-11,13,15-16H2,1-4H3/b24-18+
InChIKeyYVELVDQVOVBLGQ-HKOYGPOVSA-N
XLogP5.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.56
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine?
The IUPAC name of 2-cyclohexyl-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine (CID 142454527) is 2-cyclohexyl-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine.
What is the SMILES notation for 2-cyclohexyl-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine?
The canonical SMILES for 2-cyclohexyl-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine is CCC1C=CC(/N=C(\C)CCC(CNC)C2CCCCC2)=C(C)C1.
What is the InChIKey of 2-cyclohexyl-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine?
The InChIKey is YVELVDQVOVBLGQ-HKOYGPOVSA-N. The full InChI is InChI=1S/C22H38N2/c1-5-19-12-14-22(17(2)15-19)24-18(3)11-13-21(16-23-4)20-9-7-6-8-10-20/h12,14,19-21,23H,5-11,13,15-16H2,1-4H3/b24-18+.
What are the key properties of 2-cyclohexyl-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine?
2-cyclohexyl-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine has a molecular weight of 330.56 g/mol, XLogP of 5.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine is sourced from PubChem (CID 142454527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).