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

C23H40N2 — CID 142454888

IUPAC2-(cyclohexylmethyl)-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine
SMILESCCC1C=CC(/N=C(\C)CCC(CNC)CC2CCCCC2)=C(C)C1
InChIInChI=1S/C23H40N2/c1-5-20-13-14-23(18(2)15-20)25-19(3)11-12-22(17-24-4)16-21-9-7-6-8-10-21/h13-14,20-22,24H,5-12,15-17H2,1-4H3/b25-19+
InChIKeyPLSLHQFNUSMWOJ-NCELDCMTSA-N
MW344.59 g/mol
LogP6.29
Rot. Bonds9

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

2-(cyclohexylmethyl)-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine (PubChem CID 142454888) has the molecular formula C23H40N2 and a molecular weight of 344.59 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine
PubChem CID142454888
Molecular FormulaC23H40N2
Molecular Weight344.59 g/mol
Exact Mass344.32
IUPAC Name2-(cyclohexylmethyl)-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine
SMILESCCC1C=CC(/N=C(\C)CCC(CNC)CC2CCCCC2)=C(C)C1
InChIInChI=1S/C23H40N2/c1-5-20-13-14-23(18(2)15-20)25-19(3)11-12-22(17-24-4)16-21-9-7-6-8-10-21/h13-14,20-22,24H,5-12,15-17H2,1-4H3/b25-19+
InChIKeyPLSLHQFNUSMWOJ-NCELDCMTSA-N
XLogP6.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.59
LogP ≤ 56.29
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-(cyclohexylmethyl)-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine?
The IUPAC name of 2-(cyclohexylmethyl)-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine (CID 142454888) is 2-(cyclohexylmethyl)-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine.
What is the SMILES notation for 2-(cyclohexylmethyl)-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine?
The canonical SMILES for 2-(cyclohexylmethyl)-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine is CCC1C=CC(/N=C(\C)CCC(CNC)CC2CCCCC2)=C(C)C1.
What is the InChIKey of 2-(cyclohexylmethyl)-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine?
The InChIKey is PLSLHQFNUSMWOJ-NCELDCMTSA-N. The full InChI is InChI=1S/C23H40N2/c1-5-20-13-14-23(18(2)15-20)25-19(3)11-12-22(17-24-4)16-21-9-7-6-8-10-21/h13-14,20-22,24H,5-12,15-17H2,1-4H3/b25-19+.
What are the key properties of 2-(cyclohexylmethyl)-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine?
2-(cyclohexylmethyl)-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine has a molecular weight of 344.59 g/mol, XLogP of 6.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-5-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)imino-N-methylhexan-1-amine is sourced from PubChem (CID 142454888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).