2-cyclohexyl-N-methyl-5-(2-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)iminohexan-1-amine

C23H40N2 — CID 142454833

IUPAC2-cyclohexyl-N-methyl-5-(2-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)iminohexan-1-amine
SMILESCNCC(CC/C(C)=N/C1=C(C)CC(C(C)C)C=C1)C1CCCCC1
InChIInChI=1S/C23H40N2/c1-17(2)21-13-14-23(18(3)15-21)25-19(4)11-12-22(16-24-5)20-9-7-6-8-10-20/h13-14,17,20-22,24H,6-12,15-16H2,1-5H3/b25-19+
InChIKeyZIUVQEOZUBORCH-NCELDCMTSA-N
MW344.59 g/mol
LogP6.15
Rot. Bonds8

About 2-cyclohexyl-N-methyl-5-(2-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)iminohexan-1-amine

2-cyclohexyl-N-methyl-5-(2-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)iminohexan-1-amine (PubChem CID 142454833) has the molecular formula C23H40N2 and a molecular weight of 344.59 g/mol. Its IUPAC name is 2-cyclohexyl-N-methyl-5-(2-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)iminohexan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-methyl-5-(2-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)iminohexan-1-amine
PubChem CID142454833
Molecular FormulaC23H40N2
Molecular Weight344.59 g/mol
Exact Mass344.32
IUPAC Name2-cyclohexyl-N-methyl-5-(2-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)iminohexan-1-amine
SMILESCNCC(CC/C(C)=N/C1=C(C)CC(C(C)C)C=C1)C1CCCCC1
InChIInChI=1S/C23H40N2/c1-17(2)21-13-14-23(18(3)15-21)25-19(4)11-12-22(16-24-5)20-9-7-6-8-10-20/h13-14,17,20-22,24H,6-12,15-16H2,1-5H3/b25-19+
InChIKeyZIUVQEOZUBORCH-NCELDCMTSA-N
XLogP6.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.59
LogP ≤ 56.15
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-N-methyl-5-(2-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)iminohexan-1-amine?
The IUPAC name of 2-cyclohexyl-N-methyl-5-(2-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)iminohexan-1-amine (CID 142454833) is 2-cyclohexyl-N-methyl-5-(2-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)iminohexan-1-amine.
What is the SMILES notation for 2-cyclohexyl-N-methyl-5-(2-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)iminohexan-1-amine?
The canonical SMILES for 2-cyclohexyl-N-methyl-5-(2-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)iminohexan-1-amine is CNCC(CC/C(C)=N/C1=C(C)CC(C(C)C)C=C1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-methyl-5-(2-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)iminohexan-1-amine?
The InChIKey is ZIUVQEOZUBORCH-NCELDCMTSA-N. The full InChI is InChI=1S/C23H40N2/c1-17(2)21-13-14-23(18(3)15-21)25-19(4)11-12-22(16-24-5)20-9-7-6-8-10-20/h13-14,17,20-22,24H,6-12,15-16H2,1-5H3/b25-19+.
What are the key properties of 2-cyclohexyl-N-methyl-5-(2-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)iminohexan-1-amine?
2-cyclohexyl-N-methyl-5-(2-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)iminohexan-1-amine has a molecular weight of 344.59 g/mol, XLogP of 6.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-methyl-5-(2-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)iminohexan-1-amine is sourced from PubChem (CID 142454833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).