N-[(3,5-dimethylphenyl)methyl]-1-[3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methanamine

C26H38N2 — CID 46231501

IUPACN-[(3,5-dimethylphenyl)methyl]-1-[3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methanamine
SMILESCc1cc(C)cc(CNCC2CCCC(CNCc3cc(C)cc(C)c3)C2)c1
InChIInChI=1S/C26H38N2/c1-19-8-20(2)11-25(10-19)17-27-15-23-6-5-7-24(14-23)16-28-18-26-12-21(3)9-22(4)13-26/h8-13,23-24,27-28H,5-7,14-18H2,1-4H3
InChIKeyGHFQSUOSTZSAPN-UHFFFAOYSA-N
MW378.60 g/mol
LogP5.61
Rot. Bonds8

About N-[(3,5-dimethylphenyl)methyl]-1-[3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methanamine

N-[(3,5-dimethylphenyl)methyl]-1-[3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methanamine (PubChem CID 46231501) has the molecular formula C26H38N2 and a molecular weight of 378.60 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]-1-[3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]-1-[3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methanamine
PubChem CID46231501
Molecular FormulaC26H38N2
Molecular Weight378.60 g/mol
Exact Mass378.30
IUPAC NameN-[(3,5-dimethylphenyl)methyl]-1-[3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methanamine
SMILESCc1cc(C)cc(CNCC2CCCC(CNCc3cc(C)cc(C)c3)C2)c1
InChIInChI=1S/C26H38N2/c1-19-8-20(2)11-25(10-19)17-27-15-23-6-5-7-24(14-23)16-28-18-26-12-21(3)9-22(4)13-26/h8-13,23-24,27-28H,5-7,14-18H2,1-4H3
InChIKeyGHFQSUOSTZSAPN-UHFFFAOYSA-N
XLogP5.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]-1-[3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methanamine?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]-1-[3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methanamine (CID 46231501) is N-[(3,5-dimethylphenyl)methyl]-1-[3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methanamine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]-1-[3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methanamine?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]-1-[3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methanamine is Cc1cc(C)cc(CNCC2CCCC(CNCc3cc(C)cc(C)c3)C2)c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]-1-[3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methanamine?
The InChIKey is GHFQSUOSTZSAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2/c1-19-8-20(2)11-25(10-19)17-27-15-23-6-5-7-24(14-23)16-28-18-26-12-21(3)9-22(4)13-26/h8-13,23-24,27-28H,5-7,14-18H2,1-4H3.
What are the key properties of N-[(3,5-dimethylphenyl)methyl]-1-[3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methanamine?
N-[(3,5-dimethylphenyl)methyl]-1-[3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methanamine has a molecular weight of 378.60 g/mol, XLogP of 5.61, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]-1-[3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methanamine is sourced from PubChem (CID 46231501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).