N-[(2-ethylcyclohexyl)-(1-phenylcyclopropyl)methyl]ethanamine

C20H31N — CID 63862736

IUPACN-[(2-ethylcyclohexyl)-(1-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(C1CCCCC1CC)C1(c2ccccc2)CC1
InChIInChI=1S/C20H31N/c1-3-16-10-8-9-13-18(16)19(21-4-2)20(14-15-20)17-11-6-5-7-12-17/h5-7,11-12,16,18-19,21H,3-4,8-10,13-15H2,1-2H3
InChIKeyNPKSGWFKACBQLP-UHFFFAOYSA-N
MW285.47 g/mol
LogP4.91
Rot. Bonds6

About N-[(2-ethylcyclohexyl)-(1-phenylcyclopropyl)methyl]ethanamine

N-[(2-ethylcyclohexyl)-(1-phenylcyclopropyl)methyl]ethanamine (PubChem CID 63862736) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is N-[(2-ethylcyclohexyl)-(1-phenylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethylcyclohexyl)-(1-phenylcyclopropyl)methyl]ethanamine
PubChem CID63862736
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC NameN-[(2-ethylcyclohexyl)-(1-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(C1CCCCC1CC)C1(c2ccccc2)CC1
InChIInChI=1S/C20H31N/c1-3-16-10-8-9-13-18(16)19(21-4-2)20(14-15-20)17-11-6-5-7-12-17/h5-7,11-12,16,18-19,21H,3-4,8-10,13-15H2,1-2H3
InChIKeyNPKSGWFKACBQLP-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylcyclohexyl)-(1-phenylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(2-ethylcyclohexyl)-(1-phenylcyclopropyl)methyl]ethanamine (CID 63862736) is N-[(2-ethylcyclohexyl)-(1-phenylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-ethylcyclohexyl)-(1-phenylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(2-ethylcyclohexyl)-(1-phenylcyclopropyl)methyl]ethanamine is CCNC(C1CCCCC1CC)C1(c2ccccc2)CC1.
What is the InChIKey of N-[(2-ethylcyclohexyl)-(1-phenylcyclopropyl)methyl]ethanamine?
The InChIKey is NPKSGWFKACBQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-3-16-10-8-9-13-18(16)19(21-4-2)20(14-15-20)17-11-6-5-7-12-17/h5-7,11-12,16,18-19,21H,3-4,8-10,13-15H2,1-2H3.
What are the key properties of N-[(2-ethylcyclohexyl)-(1-phenylcyclopropyl)methyl]ethanamine?
N-[(2-ethylcyclohexyl)-(1-phenylcyclopropyl)methyl]ethanamine has a molecular weight of 285.47 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylcyclohexyl)-(1-phenylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 63862736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).