1-N-[(4-methylphenyl)methyl]-2-N-[(4-propylphenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride

C24H36Cl2N2 — CID 71502123

IUPAC1-N-[(4-methylphenyl)methyl]-2-N-[(4-propylphenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride
SMILESCCCc1ccc(CNC2CCCCC2NCc2ccc(C)cc2)cc1.Cl.Cl
InChIInChI=1S/C24H34N2.2ClH/c1-3-6-20-13-15-22(16-14-20)18-26-24-8-5-4-7-23(24)25-17-21-11-9-19(2)10-12-21;;/h9-16,23-26H,3-8,17-18H2,1-2H3;2*1H
InChIKeyQRUVGNAOAFZHQR-UHFFFAOYSA-N
MW423.47 g/mol
LogP5.98
Rot. Bonds8

About 1-N-[(4-methylphenyl)methyl]-2-N-[(4-propylphenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride

1-N-[(4-methylphenyl)methyl]-2-N-[(4-propylphenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride (PubChem CID 71502123) has the molecular formula C24H36Cl2N2 and a molecular weight of 423.47 g/mol. Its IUPAC name is 1-N-[(4-methylphenyl)methyl]-2-N-[(4-propylphenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Name1-N-[(4-methylphenyl)methyl]-2-N-[(4-propylphenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride
PubChem CID71502123
Molecular FormulaC24H36Cl2N2
Molecular Weight423.47 g/mol
Exact Mass422.23
IUPAC Name1-N-[(4-methylphenyl)methyl]-2-N-[(4-propylphenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride
SMILESCCCc1ccc(CNC2CCCCC2NCc2ccc(C)cc2)cc1.Cl.Cl
InChIInChI=1S/C24H34N2.2ClH/c1-3-6-20-13-15-22(16-14-20)18-26-24-8-5-4-7-23(24)25-17-21-11-9-19(2)10-12-21;;/h9-16,23-26H,3-8,17-18H2,1-2H3;2*1H
InChIKeyQRUVGNAOAFZHQR-UHFFFAOYSA-N
XLogP5.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[(4-bromophenyl)methyl]-1-N-[(4-propylphenyl)methyl]cyclohexane-1,2-diamine
CID 71500072
1-N-benzyl-2-N-[(4-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 71501767
1-N,2-N-bis[(4-butylphenyl)methyl]cyclohexane-1,2-diamine
CID 51040392
2-[(4-methylphenyl)methylamino]cyclohexan-1-ol
CID 60714627
N-[(4-propylphenyl)methyl]cyclohexanamine
CID 94685509
2-N-[(2-methylphenyl)methyl]-1-N-[(4-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 71502120
2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43765239
(1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 11923056
N-ethyl-2-(4-propylphenyl)cycloheptan-1-amine
CID 63511493
trans-(1R,2R)-1-N,2-N-bis[(4-phenylphenyl)methyl]cyclohexane-1,2-diamine
CID 122225965
N-[(4-methylphenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711454
1-N,2-N-bis[(4-chlorophenyl)methyl]cyclohexane-1,2-diamine
CID 51040605

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-methylphenyl)methyl]-2-N-[(4-propylphenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride?
The IUPAC name of 1-N-[(4-methylphenyl)methyl]-2-N-[(4-propylphenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride (CID 71502123) is 1-N-[(4-methylphenyl)methyl]-2-N-[(4-propylphenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride.
What is the SMILES notation for 1-N-[(4-methylphenyl)methyl]-2-N-[(4-propylphenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride?
The canonical SMILES for 1-N-[(4-methylphenyl)methyl]-2-N-[(4-propylphenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride is CCCc1ccc(CNC2CCCCC2NCc2ccc(C)cc2)cc1.Cl.Cl.
What is the InChIKey of 1-N-[(4-methylphenyl)methyl]-2-N-[(4-propylphenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride?
The InChIKey is QRUVGNAOAFZHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2.2ClH/c1-3-6-20-13-15-22(16-14-20)18-26-24-8-5-4-7-23(24)25-17-21-11-9-19(2)10-12-21;;/h9-16,23-26H,3-8,17-18H2,1-2H3;2*1H.
What are the key properties of 1-N-[(4-methylphenyl)methyl]-2-N-[(4-propylphenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride?
1-N-[(4-methylphenyl)methyl]-2-N-[(4-propylphenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride has a molecular weight of 423.47 g/mol, XLogP of 5.98, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-methylphenyl)methyl]-2-N-[(4-propylphenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 71502123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).