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

C22H30N2 — CID 71502120

IUPAC2-N-[(2-methylphenyl)methyl]-1-N-[(4-methylphenyl)methyl]cyclohexane-1,2-diamine
SMILESCc1ccc(CNC2CCCCC2NCc2ccccc2C)cc1
InChIInChI=1S/C22H30N2/c1-17-11-13-19(14-12-17)15-23-21-9-5-6-10-22(21)24-16-20-8-4-3-7-18(20)2/h3-4,7-8,11-14,21-24H,5-6,9-10,15-16H2,1-2H3
InChIKeyUCPWGDTZPDKOBN-UHFFFAOYSA-N
MW322.50 g/mol
LogP4.49
Rot. Bonds6

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

2-N-[(2-methylphenyl)methyl]-1-N-[(4-methylphenyl)methyl]cyclohexane-1,2-diamine (PubChem CID 71502120) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 2-N-[(2-methylphenyl)methyl]-1-N-[(4-methylphenyl)methyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-methylphenyl)methyl]-1-N-[(4-methylphenyl)methyl]cyclohexane-1,2-diamine
PubChem CID71502120
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Name2-N-[(2-methylphenyl)methyl]-1-N-[(4-methylphenyl)methyl]cyclohexane-1,2-diamine
SMILESCc1ccc(CNC2CCCCC2NCc2ccccc2C)cc1
InChIInChI=1S/C22H30N2/c1-17-11-13-19(14-12-17)15-23-21-9-5-6-10-22(21)24-16-20-8-4-3-7-18(20)2/h3-4,7-8,11-14,21-24H,5-6,9-10,15-16H2,1-2H3
InChIKeyUCPWGDTZPDKOBN-UHFFFAOYSA-N
XLogP4.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 15739492
1-N-benzyl-2-N-[(4-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 71501767
2-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 43081283
2-[(4-methylphenyl)methylamino]cyclohexan-1-ol
CID 60714627
trans-(1R,2R)-1-N,2-N-bis[(4-phenylphenyl)methyl]cyclohexane-1,2-diamine
CID 122225965
1-N-[(4-methylphenyl)methyl]-2-N-[(4-propylphenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 71502123
1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 4724057
2-[[[(1R,2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]cyclohexyl]amino]methyl]-6-methylphenol
CID 90329687
2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43765239
2-[[[(2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol
CID 138615280
1-N,2-N-bis[(4-chlorophenyl)methyl]cyclohexane-1,2-diamine
CID 51040605
2-N-benzyl-1-N-methylcyclohexane-1,2-diamine
CID 149139761

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-methylphenyl)methyl]-1-N-[(4-methylphenyl)methyl]cyclohexane-1,2-diamine?
The IUPAC name of 2-N-[(2-methylphenyl)methyl]-1-N-[(4-methylphenyl)methyl]cyclohexane-1,2-diamine (CID 71502120) is 2-N-[(2-methylphenyl)methyl]-1-N-[(4-methylphenyl)methyl]cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-methylphenyl)methyl]-1-N-[(4-methylphenyl)methyl]cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-[(2-methylphenyl)methyl]-1-N-[(4-methylphenyl)methyl]cyclohexane-1,2-diamine is Cc1ccc(CNC2CCCCC2NCc2ccccc2C)cc1.
What is the InChIKey of 2-N-[(2-methylphenyl)methyl]-1-N-[(4-methylphenyl)methyl]cyclohexane-1,2-diamine?
The InChIKey is UCPWGDTZPDKOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2/c1-17-11-13-19(14-12-17)15-23-21-9-5-6-10-22(21)24-16-20-8-4-3-7-18(20)2/h3-4,7-8,11-14,21-24H,5-6,9-10,15-16H2,1-2H3.
What are the key properties of 2-N-[(2-methylphenyl)methyl]-1-N-[(4-methylphenyl)methyl]cyclohexane-1,2-diamine?
2-N-[(2-methylphenyl)methyl]-1-N-[(4-methylphenyl)methyl]cyclohexane-1,2-diamine has a molecular weight of 322.50 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-methylphenyl)methyl]-1-N-[(4-methylphenyl)methyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 71502120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).