1-N,2-N-bis[(4-propan-2-ylphenyl)methyl]cyclohexane-1,2-diamine

C26H38N2 — CID 18914017

IUPAC1-N,2-N-bis[(4-propan-2-ylphenyl)methyl]cyclohexane-1,2-diamine
SMILESCC(C)c1ccc(CNC2CCCCC2NCc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C26H38N2/c1-19(2)23-13-9-21(10-14-23)17-27-25-7-5-6-8-26(25)28-18-22-11-15-24(16-12-22)20(3)4/h9-16,19-20,25-28H,5-8,17-18H2,1-4H3
InChIKeyBPXUABWMQSXOIQ-UHFFFAOYSA-N
MW378.60 g/mol
LogP6.12
Rot. Bonds8

About 1-N,2-N-bis[(4-propan-2-ylphenyl)methyl]cyclohexane-1,2-diamine

1-N,2-N-bis[(4-propan-2-ylphenyl)methyl]cyclohexane-1,2-diamine (PubChem CID 18914017) has the molecular formula C26H38N2 and a molecular weight of 378.60 g/mol. Its IUPAC name is 1-N,2-N-bis[(4-propan-2-ylphenyl)methyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis[(4-propan-2-ylphenyl)methyl]cyclohexane-1,2-diamine
PubChem CID18914017
Molecular FormulaC26H38N2
Molecular Weight378.60 g/mol
Exact Mass378.30
IUPAC Name1-N,2-N-bis[(4-propan-2-ylphenyl)methyl]cyclohexane-1,2-diamine
SMILESCC(C)c1ccc(CNC2CCCCC2NCc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C26H38N2/c1-19(2)23-13-9-21(10-14-23)17-27-25-7-5-6-8-26(25)28-18-22-11-15-24(16-12-22)20(3)4/h9-16,19-20,25-28H,5-8,17-18H2,1-4H3
InChIKeyBPXUABWMQSXOIQ-UHFFFAOYSA-N
XLogP6.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol
CID 104923295
2-chloro-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 65025552
2-[(4-propan-2-ylphenyl)methylamino]cycloheptane-1-carbonitrile
CID 62742638
N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride
CID 17331879
N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
1-N,2-N-bis[(4-chlorophenyl)methyl]cyclohexane-1,2-diamine
CID 51040605
N-[(4-propan-2-ylphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79537133
trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine
CID 18660068
trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 11314223
2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 61222463
(1S)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81390306
(1R)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81388470

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis[(4-propan-2-ylphenyl)methyl]cyclohexane-1,2-diamine?
The IUPAC name of 1-N,2-N-bis[(4-propan-2-ylphenyl)methyl]cyclohexane-1,2-diamine (CID 18914017) is 1-N,2-N-bis[(4-propan-2-ylphenyl)methyl]cyclohexane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis[(4-propan-2-ylphenyl)methyl]cyclohexane-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis[(4-propan-2-ylphenyl)methyl]cyclohexane-1,2-diamine is CC(C)c1ccc(CNC2CCCCC2NCc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1-N,2-N-bis[(4-propan-2-ylphenyl)methyl]cyclohexane-1,2-diamine?
The InChIKey is BPXUABWMQSXOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2/c1-19(2)23-13-9-21(10-14-23)17-27-25-7-5-6-8-26(25)28-18-22-11-15-24(16-12-22)20(3)4/h9-16,19-20,25-28H,5-8,17-18H2,1-4H3.
What are the key properties of 1-N,2-N-bis[(4-propan-2-ylphenyl)methyl]cyclohexane-1,2-diamine?
1-N,2-N-bis[(4-propan-2-ylphenyl)methyl]cyclohexane-1,2-diamine has a molecular weight of 378.60 g/mol, XLogP of 6.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis[(4-propan-2-ylphenyl)methyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 18914017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).