[4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine

C23H38N2 — CID 142934414

IUPAC[4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
SMILESCc1ccc(CN(CC2CCCCC2)CC2CCC(CN)CC2)cc1
InChIInChI=1S/C23H38N2/c1-19-7-9-22(10-8-19)17-25(16-21-5-3-2-4-6-21)18-23-13-11-20(15-24)12-14-23/h7-10,20-21,23H,2-6,11-18,24H2,1H3
InChIKeyHMPVMDMSDCXCRA-UHFFFAOYSA-N
MW342.57 g/mol
LogP5.14
Rot. Bonds7

About [4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine

[4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine (PubChem CID 142934414) has the molecular formula C23H38N2 and a molecular weight of 342.57 g/mol. Its IUPAC name is [4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
PubChem CID142934414
Molecular FormulaC23H38N2
Molecular Weight342.57 g/mol
Exact Mass342.30
IUPAC Name[4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
SMILESCc1ccc(CN(CC2CCCCC2)CC2CCC(CN)CC2)cc1
InChIInChI=1S/C23H38N2/c1-19-7-9-22(10-8-19)17-25(16-21-5-3-2-4-6-21)18-23-13-11-20(15-24)12-14-23/h7-10,20-21,23H,2-6,11-18,24H2,1H3
InChIKeyHMPVMDMSDCXCRA-UHFFFAOYSA-N
XLogP5.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine with MolForge

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Related Compounds

[4-[[cyclohexylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine
CID 142934403
[4-[[cyclohexylmethyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934345
[4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine
CID 142934612
2-[cyclopropylmethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 43656550
[4-[[(4-bromophenyl)methyl-[(4-phenylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934313
4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline
CID 43383869
[4-[[cyclohexylmethyl-[(9-ethylcarbazol-3-yl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934267
4-[[[4-(aminomethyl)cyclohexyl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethylaniline
CID 142934641
ethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine
CID 143603209
[4-[[(3,4-dibromophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 10459391
[4-[[bis[(3-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine;propanoic acid
CID 142934541
[4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 23795070

Frequently Asked Questions

What is the IUPAC name of [4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine?
The IUPAC name of [4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine (CID 142934414) is [4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine is Cc1ccc(CN(CC2CCCCC2)CC2CCC(CN)CC2)cc1.
What is the InChIKey of [4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine?
The InChIKey is HMPVMDMSDCXCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2/c1-19-7-9-22(10-8-19)17-25(16-21-5-3-2-4-6-21)18-23-13-11-20(15-24)12-14-23/h7-10,20-21,23H,2-6,11-18,24H2,1H3.
What are the key properties of [4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine?
[4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine has a molecular weight of 342.57 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine is sourced from PubChem (CID 142934414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).