4-N-[(2-ethylphenyl)methyl]cyclohexane-1,4-diamine

C15H24N2 — CID 55067066

IUPAC4-N-[(2-ethylphenyl)methyl]cyclohexane-1,4-diamine
SMILESCCc1ccccc1CNC1CCC(N)CC1
InChIInChI=1S/C15H24N2/c1-2-12-5-3-4-6-13(12)11-17-15-9-7-14(16)8-10-15/h3-6,14-15,17H,2,7-11,16H2,1H3
InChIKeyCNDIXOKBDHQZTD-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.61
Rot. Bonds4

About 4-N-[(2-ethylphenyl)methyl]cyclohexane-1,4-diamine

4-N-[(2-ethylphenyl)methyl]cyclohexane-1,4-diamine (PubChem CID 55067066) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-N-[(2-ethylphenyl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(2-ethylphenyl)methyl]cyclohexane-1,4-diamine
PubChem CID55067066
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-N-[(2-ethylphenyl)methyl]cyclohexane-1,4-diamine
SMILESCCc1ccccc1CNC1CCC(N)CC1
InChIInChI=1S/C15H24N2/c1-2-12-5-3-4-6-13(12)11-17-15-9-7-14(16)8-10-15/h3-6,14-15,17H,2,7-11,16H2,1H3
InChIKeyCNDIXOKBDHQZTD-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-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine
CID 79730790
4-N-[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride
CID 66569865
N-[(2-ethylphenyl)methyl]-1,1-dioxothian-4-amine
CID 62391393
N-[(2-ethylphenyl)methyl]thiolan-3-amine
CID 64682824
4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine
CID 80700876
trans-(1R,2R)-2-[(2-ethylphenyl)methylamino]cyclohexan-1-ol
CID 102731298
4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine
CID 107235605
N-(4-aminocyclohexyl)-2-ethylbenzenesulfonamide
CID 120708205
3-N-[(3-ethyl-2-pyridinyl)methyl]cyclopentane-1,3-diamine
CID 82733670
4-N-[(2-pyrazol-1-ylphenyl)methyl]cyclohexane-1,4-diamine
CID 79742029
4-N-benzylcyclohexane-1,4-diamine;formic acid
CID 143890490
3-N-[(2-bromophenyl)methyl]cyclopentane-1,3-diamine
CID 79462657

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-ethylphenyl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(2-ethylphenyl)methyl]cyclohexane-1,4-diamine (CID 55067066) is 4-N-[(2-ethylphenyl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(2-ethylphenyl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(2-ethylphenyl)methyl]cyclohexane-1,4-diamine is CCc1ccccc1CNC1CCC(N)CC1.
What is the InChIKey of 4-N-[(2-ethylphenyl)methyl]cyclohexane-1,4-diamine?
The InChIKey is CNDIXOKBDHQZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-2-12-5-3-4-6-13(12)11-17-15-9-7-14(16)8-10-15/h3-6,14-15,17H,2,7-11,16H2,1H3.
What are the key properties of 4-N-[(2-ethylphenyl)methyl]cyclohexane-1,4-diamine?
4-N-[(2-ethylphenyl)methyl]cyclohexane-1,4-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 4-N-[(2-ethylphenyl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 55067066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).