1-N-[(4-ethylphenyl)methyl]cyclohexane-1,3-diamine

C15H24N2 — CID 106899393

IUPAC1-N-[(4-ethylphenyl)methyl]cyclohexane-1,3-diamine
SMILESCCc1ccc(CNC2CCCC(N)C2)cc1
InChIInChI=1S/C15H24N2/c1-2-12-6-8-13(9-7-12)11-17-15-5-3-4-14(16)10-15/h6-9,14-15,17H,2-5,10-11,16H2,1H3
InChIKeyKPYPDAYBKIJPHZ-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.61
Rot. Bonds4

About 1-N-[(4-ethylphenyl)methyl]cyclohexane-1,3-diamine

1-N-[(4-ethylphenyl)methyl]cyclohexane-1,3-diamine (PubChem CID 106899393) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-N-[(4-ethylphenyl)methyl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(4-ethylphenyl)methyl]cyclohexane-1,3-diamine
PubChem CID106899393
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-N-[(4-ethylphenyl)methyl]cyclohexane-1,3-diamine
SMILESCCc1ccc(CNC2CCCC(N)C2)cc1
InChIInChI=1S/C15H24N2/c1-2-12-6-8-13(9-7-12)11-17-15-5-3-4-14(16)10-15/h6-9,14-15,17H,2-5,10-11,16H2,1H3
InChIKeyKPYPDAYBKIJPHZ-UHFFFAOYSA-N
XLogP2.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(3-aminocyclohexyl)amino]methyl]phenol
CID 114331392
N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317393
4-[[(3-aminocyclohexyl)amino]methyl]benzonitrile
CID 79459349
N-[(4-ethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103675931
N-[(4-ethylphenyl)methyl]-3-methoxycyclohexan-1-amine
CID 113286117
1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine
CID 79458725
N-[(4-cyclopropylphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 79983701
1-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1,3-diamine
CID 79458112
3-[(4-ethylphenyl)methyl]cyclohexan-1-amine
CID 64506247
3-N-[(4-methylsulfonylphenyl)methyl]cyclopentane-1,3-diamine
CID 79461145
3-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-diamine
CID 79461380
1-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,3-diamine
CID 79459161

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-ethylphenyl)methyl]cyclohexane-1,3-diamine?
The IUPAC name of 1-N-[(4-ethylphenyl)methyl]cyclohexane-1,3-diamine (CID 106899393) is 1-N-[(4-ethylphenyl)methyl]cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[(4-ethylphenyl)methyl]cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[(4-ethylphenyl)methyl]cyclohexane-1,3-diamine is CCc1ccc(CNC2CCCC(N)C2)cc1.
What is the InChIKey of 1-N-[(4-ethylphenyl)methyl]cyclohexane-1,3-diamine?
The InChIKey is KPYPDAYBKIJPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-2-12-6-8-13(9-7-12)11-17-15-5-3-4-14(16)10-15/h6-9,14-15,17H,2-5,10-11,16H2,1H3.
What are the key properties of 1-N-[(4-ethylphenyl)methyl]cyclohexane-1,3-diamine?
1-N-[(4-ethylphenyl)methyl]cyclohexane-1,3-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-ethylphenyl)methyl]cyclohexane-1,3-diamine is sourced from PubChem (CID 106899393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).