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

C24H42N2 — CID 142454628

IUPAC2-(cyclohexylmethyl)-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)CC1CCCCC1
InChIInChI=1S/C24H42N2/c1-18(2)23-13-14-24(19(3)15-23)26-20(4)11-12-22(17-25-5)16-21-9-7-6-8-10-21/h13-14,18,21-23,25H,6-12,15-17H2,1-5H3/b26-20+
InChIKeyPJISCTSFPFIOSG-LHLOQNFPSA-N
MW358.61 g/mol
LogP6.54
Rot. Bonds9

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

2-(cyclohexylmethyl)-N-methyl-5-(2-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)iminohexan-1-amine (PubChem CID 142454628) has the molecular formula C24H42N2 and a molecular weight of 358.61 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-N-methyl-5-(2-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)iminohexan-1-amine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-N-methyl-5-(2-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)iminohexan-1-amine
PubChem CID142454628
Molecular FormulaC24H42N2
Molecular Weight358.61 g/mol
Exact Mass358.33
IUPAC Name2-(cyclohexylmethyl)-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)CC1CCCCC1
InChIInChI=1S/C24H42N2/c1-18(2)23-13-14-24(19(3)15-23)26-20(4)11-12-22(17-25-5)16-21-9-7-6-8-10-21/h13-14,18,21-23,25H,6-12,15-17H2,1-5H3/b26-20+
InChIKeyPJISCTSFPFIOSG-LHLOQNFPSA-N
XLogP6.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.61
LogP ≤ 56.54
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)-N-methyl-5-(2-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)iminohexan-1-amine?
The IUPAC name of 2-(cyclohexylmethyl)-N-methyl-5-(2-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)iminohexan-1-amine (CID 142454628) is 2-(cyclohexylmethyl)-N-methyl-5-(2-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)iminohexan-1-amine.
What is the SMILES notation for 2-(cyclohexylmethyl)-N-methyl-5-(2-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)iminohexan-1-amine?
The canonical SMILES for 2-(cyclohexylmethyl)-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)CC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethyl)-N-methyl-5-(2-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)iminohexan-1-amine?
The InChIKey is PJISCTSFPFIOSG-LHLOQNFPSA-N. The full InChI is InChI=1S/C24H42N2/c1-18(2)23-13-14-24(19(3)15-23)26-20(4)11-12-22(17-25-5)16-21-9-7-6-8-10-21/h13-14,18,21-23,25H,6-12,15-17H2,1-5H3/b26-20+.
What are the key properties of 2-(cyclohexylmethyl)-N-methyl-5-(2-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)iminohexan-1-amine?
2-(cyclohexylmethyl)-N-methyl-5-(2-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)iminohexan-1-amine has a molecular weight of 358.61 g/mol, XLogP of 6.54, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-N-methyl-5-(2-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl)iminohexan-1-amine is sourced from PubChem (CID 142454628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).