N-[[2-(2,5-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine

C20H31N — CID 81032528

IUPACN-[[2-(2,5-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
SMILESCCC1CCC(CNC2CC2)C(c2cc(C)ccc2C)C1
InChIInChI=1S/C20H31N/c1-4-16-7-8-17(13-21-18-9-10-18)20(12-16)19-11-14(2)5-6-15(19)3/h5-6,11,16-18,20-21H,4,7-10,12-13H2,1-3H3
InChIKeyGZWMMSDVHUGUOR-UHFFFAOYSA-N
MW285.47 g/mol
LogP4.97
Rot. Bonds5

About N-[[2-(2,5-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine

N-[[2-(2,5-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine (PubChem CID 81032528) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is N-[[2-(2,5-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2,5-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
PubChem CID81032528
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC NameN-[[2-(2,5-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
SMILESCCC1CCC(CNC2CC2)C(c2cc(C)ccc2C)C1
InChIInChI=1S/C20H31N/c1-4-16-7-8-17(13-21-18-9-10-18)20(12-16)19-11-14(2)5-6-15(19)3/h5-6,11,16-18,20-21H,4,7-10,12-13H2,1-3H3
InChIKeyGZWMMSDVHUGUOR-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(3,4-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81034644
2-(2,5-dimethylphenyl)-4-ethylcyclohexan-1-amine
CID 81014170
N-[[2-(4-chlorophenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81029797
N-[[2-(3-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 107361282
N-[[2-(2-methylthiophen-3-yl)-4-propylcyclohexyl]methyl]cyclopropanamine
CID 102839076
N-[(4-ethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine
CID 81030101
N-[[2-(2,5-dimethylphenyl)cyclobutyl]methyl]propan-2-amine
CID 81017220
N-[[2-(2,4-dimethylphenyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81033727
N-[[2-(2,5-dimethylphenyl)cyclohexyl]methyl]propan-1-amine
CID 81027499
N-[(2-benzyl-4-ethylcyclohexyl)methyl]cyclopropanamine
CID 81030099
N-[[2-(4-chloro-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 114667485
N-[[4-ethyl-2-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81032734

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,5-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2,5-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine (CID 81032528) is N-[[2-(2,5-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2,5-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2,5-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine is CCC1CCC(CNC2CC2)C(c2cc(C)ccc2C)C1.
What is the InChIKey of N-[[2-(2,5-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine?
The InChIKey is GZWMMSDVHUGUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-4-16-7-8-17(13-21-18-9-10-18)20(12-16)19-11-14(2)5-6-15(19)3/h5-6,11,16-18,20-21H,4,7-10,12-13H2,1-3H3.
What are the key properties of N-[[2-(2,5-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine?
N-[[2-(2,5-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine has a molecular weight of 285.47 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,5-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 81032528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).