trans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine

C22H30N2 — CID 15739492

IUPACtrans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine
SMILESCc1ccccc1CN[C@@H]1CCCC[C@H]1NCc1ccccc1C
InChIInChI=1S/C22H30N2/c1-17-9-3-5-11-19(17)15-23-21-13-7-8-14-22(21)24-16-20-12-6-4-10-18(20)2/h3-6,9-12,21-24H,7-8,13-16H2,1-2H3/t21-,22-/m1/s1
InChIKeyNXRJGLFADZCXRK-FGZHOGPDSA-N
MW322.50 g/mol
LogP4.49
Rot. Bonds6

About trans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine

trans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine (PubChem CID 15739492) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is trans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine
PubChem CID15739492
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Nametrans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine
SMILESCc1ccccc1CN[C@@H]1CCCC[C@H]1NCc1ccccc1C
InChIInChI=1S/C22H30N2/c1-17-9-3-5-11-19(17)15-23-21-13-7-8-14-22(21)24-16-20-12-6-4-10-18(20)2/h3-6,9-12,21-24H,7-8,13-16H2,1-2H3/t21-,22-/m1/s1
InChIKeyNXRJGLFADZCXRK-FGZHOGPDSA-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

Analyze trans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 43081283
2-N-[(2-methylphenyl)methyl]-1-N-[(4-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 71502120
2-[[[(1R,2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]cyclohexyl]amino]methyl]-6-methylphenol
CID 90329687
2-[[[(2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol
CID 138615280
2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol;platinum(2+);dichloride
CID 25192413
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214
2-[(2,3-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 55063844
N-[(2-methylphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43223708
N-[(2-chlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43079937
2-imidazol-1-yl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 43734309
2,4,4-trimethyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 81321590
trans-(1R,2R)-2-[(2-ethylphenyl)methylamino]cyclohexan-1-ol
CID 102731298

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine (CID 15739492) is trans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine is Cc1ccccc1CN[C@@H]1CCCC[C@H]1NCc1ccccc1C.
What is the InChIKey of trans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine?
The InChIKey is NXRJGLFADZCXRK-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H30N2/c1-17-9-3-5-11-19(17)15-23-21-13-7-8-14-22(21)24-16-20-12-6-4-10-18(20)2/h3-6,9-12,21-24H,7-8,13-16H2,1-2H3/t21-,22-/m1/s1.
What are the key properties of trans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine?
trans-(1R,2R)-1-N,2-N-bis[(2-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 trans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 15739492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).