N-[[4-ethyl-2-(2-phenylcyclopropyl)cyclohexyl]methyl]ethanamine

C20H31N — CID 116518670

IUPACN-[[4-ethyl-2-(2-phenylcyclopropyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(CC)CC1C1CC1c1ccccc1
InChIInChI=1S/C20H31N/c1-3-15-10-11-17(14-21-4-2)18(12-15)20-13-19(20)16-8-6-5-7-9-16/h5-9,15,17-21H,3-4,10-14H2,1-2H3
InChIKeyHBXACAQEIYEBFD-UHFFFAOYSA-N
MW285.48 g/mol
LogP4.84
Rot. Bonds6

About N-[[4-ethyl-2-(2-phenylcyclopropyl)cyclohexyl]methyl]ethanamine

N-[[4-ethyl-2-(2-phenylcyclopropyl)cyclohexyl]methyl]ethanamine (PubChem CID 116518670) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is N-[[4-ethyl-2-(2-phenylcyclopropyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(2-phenylcyclopropyl)cyclohexyl]methyl]ethanamine
PubChem CID116518670
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC NameN-[[4-ethyl-2-(2-phenylcyclopropyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(CC)CC1C1CC1c1ccccc1
InChIInChI=1S/C20H31N/c1-3-15-10-11-17(14-21-4-2)18(12-15)20-13-19(20)16-8-6-5-7-9-16/h5-9,15,17-21H,3-4,10-14H2,1-2H3
InChIKeyHBXACAQEIYEBFD-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-ethyl-2-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81035640
N-[[4-ethyl-2-(3-propylphenyl)cyclohexyl]methyl]ethanamine
CID 116546505
N-benzyl-1-[(1R,2S)-4-ethyl-2-methylcyclohexyl]methanamine
CID 175617918
2-(2-phenylcyclopropyl)-4-propylcyclohexan-1-amine
CID 116518607
N-methyl-1-[2-(2-phenylcyclopropyl)cyclohexyl]methanamine
CID 116518650
N-[[2-(1-benzofuran-2-yl)-4-ethylcyclohexyl]methyl]ethanamine
CID 114735863
N-[[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]methyl]ethanamine
CID 81032472
N-[[2-(3-methylphenyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029457
N-[[4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine
CID 115375685
2-methyl-N-[[2-(2-phenylcyclopropyl)cyclopentyl]methyl]propan-2-amine
CID 116518648
[(1S,2S)-2-[(1R,2S)-2-phenylcyclopropyl]cyclopropyl]methanol
CID 11137881
N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-ethylcyclohexyl]methyl]ethanamine
CID 114747650

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(2-phenylcyclopropyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[4-ethyl-2-(2-phenylcyclopropyl)cyclohexyl]methyl]ethanamine (CID 116518670) is N-[[4-ethyl-2-(2-phenylcyclopropyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-ethyl-2-(2-phenylcyclopropyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[4-ethyl-2-(2-phenylcyclopropyl)cyclohexyl]methyl]ethanamine is CCNCC1CCC(CC)CC1C1CC1c1ccccc1.
What is the InChIKey of N-[[4-ethyl-2-(2-phenylcyclopropyl)cyclohexyl]methyl]ethanamine?
The InChIKey is HBXACAQEIYEBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-3-15-10-11-17(14-21-4-2)18(12-15)20-13-19(20)16-8-6-5-7-9-16/h5-9,15,17-21H,3-4,10-14H2,1-2H3.
What are the key properties of N-[[4-ethyl-2-(2-phenylcyclopropyl)cyclohexyl]methyl]ethanamine?
N-[[4-ethyl-2-(2-phenylcyclopropyl)cyclohexyl]methyl]ethanamine has a molecular weight of 285.48 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(2-phenylcyclopropyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 116518670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).