1-N-[1-(2,5-dimethylphenyl)ethyl]cyclohexane-1,3-diamine

C16H26N2 — CID 79459539

IUPAC1-N-[1-(2,5-dimethylphenyl)ethyl]cyclohexane-1,3-diamine
SMILESCc1ccc(C)c(C(C)NC2CCCC(N)C2)c1
InChIInChI=1S/C16H26N2/c1-11-7-8-12(2)16(9-11)13(3)18-15-6-4-5-14(17)10-15/h7-9,13-15,18H,4-6,10,17H2,1-3H3
InChIKeyGSYCDMLFIYDESC-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.22
Rot. Bonds3

About 1-N-[1-(2,5-dimethylphenyl)ethyl]cyclohexane-1,3-diamine

1-N-[1-(2,5-dimethylphenyl)ethyl]cyclohexane-1,3-diamine (PubChem CID 79459539) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-N-[1-(2,5-dimethylphenyl)ethyl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(2,5-dimethylphenyl)ethyl]cyclohexane-1,3-diamine
PubChem CID79459539
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-N-[1-(2,5-dimethylphenyl)ethyl]cyclohexane-1,3-diamine
SMILESCc1ccc(C)c(C(C)NC2CCCC(N)C2)c1
InChIInChI=1S/C16H26N2/c1-11-7-8-12(2)16(9-11)13(3)18-15-6-4-5-14(17)10-15/h7-9,13-15,18H,4-6,10,17H2,1-3H3
InChIKeyGSYCDMLFIYDESC-UHFFFAOYSA-N
XLogP3.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2,5-dimethylphenyl)ethylamino]cyclohexan-1-ol
CID 43751115
1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohexane-1,3-diamine
CID 79459068
N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43732518
1-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine
CID 79459133
1-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1,3-diamine
CID 79459404
1-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclobutane-1,3-diamine
CID 80559992
N-[1-(2,5-dimethylphenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998779
1-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine
CID 79459154
(1S)-1-cycloheptyl-N-[1-(2,5-dimethylphenyl)ethyl]ethanamine
CID 81390923
1-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1,3-diamine
CID 79458936
3-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 43081561
1-benzyl-N-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine
CID 122176958

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2,5-dimethylphenyl)ethyl]cyclohexane-1,3-diamine?
The IUPAC name of 1-N-[1-(2,5-dimethylphenyl)ethyl]cyclohexane-1,3-diamine (CID 79459539) is 1-N-[1-(2,5-dimethylphenyl)ethyl]cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[1-(2,5-dimethylphenyl)ethyl]cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[1-(2,5-dimethylphenyl)ethyl]cyclohexane-1,3-diamine is Cc1ccc(C)c(C(C)NC2CCCC(N)C2)c1.
What is the InChIKey of 1-N-[1-(2,5-dimethylphenyl)ethyl]cyclohexane-1,3-diamine?
The InChIKey is GSYCDMLFIYDESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-11-7-8-12(2)16(9-11)13(3)18-15-6-4-5-14(17)10-15/h7-9,13-15,18H,4-6,10,17H2,1-3H3.
What are the key properties of 1-N-[1-(2,5-dimethylphenyl)ethyl]cyclohexane-1,3-diamine?
1-N-[1-(2,5-dimethylphenyl)ethyl]cyclohexane-1,3-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(2,5-dimethylphenyl)ethyl]cyclohexane-1,3-diamine is sourced from PubChem (CID 79459539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).