trans-(1R,2R)-1-N,2-N-bis[(4-phenylphenyl)methyl]cyclohexane-1,2-diamine

C32H34N2 — CID 122225965

IUPACtrans-(1R,2R)-1-N,2-N-bis[(4-phenylphenyl)methyl]cyclohexane-1,2-diamine
SMILESc1ccc(-c2ccc(CN[C@@H]3CCCC[C@H]3NCc3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C32H34N2/c1-3-9-27(10-4-1)29-19-15-25(16-20-29)23-33-31-13-7-8-14-32(31)34-24-26-17-21-30(22-18-26)28-11-5-2-6-12-28/h1-6,9-12,15-22,31-34H,7-8,13-14,23-24H2/t31-,32-/m1/s1
InChIKeyAMBKEVRBRFVQBG-ROJLCIKYSA-N
MW446.64 g/mol
LogP7.21
Rot. Bonds8

About trans-(1R,2R)-1-N,2-N-bis[(4-phenylphenyl)methyl]cyclohexane-1,2-diamine

trans-(1R,2R)-1-N,2-N-bis[(4-phenylphenyl)methyl]cyclohexane-1,2-diamine (PubChem CID 122225965) has the molecular formula C32H34N2 and a molecular weight of 446.64 g/mol. Its IUPAC name is trans-(1R,2R)-1-N,2-N-bis[(4-phenylphenyl)methyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-1-N,2-N-bis[(4-phenylphenyl)methyl]cyclohexane-1,2-diamine
PubChem CID122225965
Molecular FormulaC32H34N2
Molecular Weight446.64 g/mol
Exact Mass446.27
IUPAC Nametrans-(1R,2R)-1-N,2-N-bis[(4-phenylphenyl)methyl]cyclohexane-1,2-diamine
SMILESc1ccc(-c2ccc(CN[C@@H]3CCCC[C@H]3NCc3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C32H34N2/c1-3-9-27(10-4-1)29-19-15-25(16-20-29)23-33-31-13-7-8-14-32(31)34-24-26-17-21-30(22-18-26)28-11-5-2-6-12-28/h1-6,9-12,15-22,31-34H,7-8,13-14,23-24H2/t31-,32-/m1/s1
InChIKeyAMBKEVRBRFVQBG-ROJLCIKYSA-N
XLogP7.21
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.64
LogP ≤ 57.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-benzyl-2-N-[(4-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 71501767
2-N-benzyl-1-N-methylcyclohexane-1,2-diamine
CID 149139761
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine
CID 18660068
1-N,2-N-bis[(4-chlorophenyl)methyl]cyclohexane-1,2-diamine
CID 51040605
cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
CID 129411683
N-benzyl-2-chlorocyclohexan-1-amine
CID 65025438
2-N-[(2-methylphenyl)methyl]-1-N-[(4-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 71502120
1-cyclohexyl-N-[(4-phenylphenyl)methyl]methanamine
CID 43215570
N-benzyl-2-ethylcyclohexan-1-amine
CID 43434056
2-[4-[[[(1S,2S)-2-hydroxycyclohexyl]amino]methyl]phenyl]benzoic acid
CID 110097453
1-N,2-N-bis[(4-propan-2-ylphenyl)methyl]cyclohexane-1,2-diamine
CID 18914017

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-N,2-N-bis[(4-phenylphenyl)methyl]cyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-1-N,2-N-bis[(4-phenylphenyl)methyl]cyclohexane-1,2-diamine (CID 122225965) is trans-(1R,2R)-1-N,2-N-bis[(4-phenylphenyl)methyl]cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-1-N,2-N-bis[(4-phenylphenyl)methyl]cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-1-N,2-N-bis[(4-phenylphenyl)methyl]cyclohexane-1,2-diamine is c1ccc(-c2ccc(CN[C@@H]3CCCC[C@H]3NCc3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of trans-(1R,2R)-1-N,2-N-bis[(4-phenylphenyl)methyl]cyclohexane-1,2-diamine?
The InChIKey is AMBKEVRBRFVQBG-ROJLCIKYSA-N. The full InChI is InChI=1S/C32H34N2/c1-3-9-27(10-4-1)29-19-15-25(16-20-29)23-33-31-13-7-8-14-32(31)34-24-26-17-21-30(22-18-26)28-11-5-2-6-12-28/h1-6,9-12,15-22,31-34H,7-8,13-14,23-24H2/t31-,32-/m1/s1.
What are the key properties of trans-(1R,2R)-1-N,2-N-bis[(4-phenylphenyl)methyl]cyclohexane-1,2-diamine?
trans-(1R,2R)-1-N,2-N-bis[(4-phenylphenyl)methyl]cyclohexane-1,2-diamine has a molecular weight of 446.64 g/mol, XLogP of 7.21, 8 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[(4-phenylphenyl)methyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 122225965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).