4-N-[(2,5-dimethylphenyl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine

C17H28N2 — CID 79122756

IUPAC4-N-[(2,5-dimethylphenyl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)Cc2cc(C)ccc2C)CC1
InChIInChI=1S/C17H28N2/c1-13-5-6-14(2)15(11-13)12-19(4)17-9-7-16(18-3)8-10-17/h5-6,11,16-18H,7-10,12H2,1-4H3
InChIKeyKWCXIKBRXAUNSU-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.27
Rot. Bonds4

About 4-N-[(2,5-dimethylphenyl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine

4-N-[(2,5-dimethylphenyl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 79122756) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-N-[(2,5-dimethylphenyl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(2,5-dimethylphenyl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID79122756
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-N-[(2,5-dimethylphenyl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)Cc2cc(C)ccc2C)CC1
InChIInChI=1S/C17H28N2/c1-13-5-6-14(2)15(11-13)12-19(4)17-9-7-16(18-3)8-10-17/h5-6,11,16-18H,7-10,12H2,1-4H3
InChIKeyKWCXIKBRXAUNSU-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,5-dimethylphenyl)methyl-methylamino]cyclohexan-1-ol
CID 115149515
1-N,3-N-dimethyl-3-N-[(2-methylphenyl)methyl]cyclopentane-1,3-diamine
CID 79643894
N,2,5-trimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79116752
N-(2-chloroethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopropanamine
CID 63388091
N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-4-amine
CID 83713467
1-N,3-N-dimethyl-3-N-[(3-methylphenyl)methyl]cyclopentane-1,3-diamine
CID 79643539
4-N-(1H-indol-3-ylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79123075
1-N,4-N-dimethyl-4-N-(quinolin-8-ylmethyl)cyclohexane-1,4-diamine
CID 79117135
4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 102841835
1-N,4-N-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 113457163
2-methoxy-6-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]phenol
CID 79122393
4-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79110587

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,5-dimethylphenyl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(2,5-dimethylphenyl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine (CID 79122756) is 4-N-[(2,5-dimethylphenyl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(2,5-dimethylphenyl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(2,5-dimethylphenyl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine is CNC1CCC(N(C)Cc2cc(C)ccc2C)CC1.
What is the InChIKey of 4-N-[(2,5-dimethylphenyl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is KWCXIKBRXAUNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-5-6-14(2)15(11-13)12-19(4)17-9-7-16(18-3)8-10-17/h5-6,11,16-18H,7-10,12H2,1-4H3.
What are the key properties of 4-N-[(2,5-dimethylphenyl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
4-N-[(2,5-dimethylphenyl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,5-dimethylphenyl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 79122756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).