N-[[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine

C17H31N — CID 81029583

IUPACN-[[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine
SMILESC=C(CC)CC1CC(CC)CCC1CNC1CC1
InChIInChI=1S/C17H31N/c1-4-13(3)10-16-11-14(5-2)6-7-15(16)12-18-17-8-9-17/h14-18H,3-12H2,1-2H3
InChIKeyOCTWQSJWAHHZBY-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.54
Rot. Bonds7

About N-[[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine

N-[[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine (PubChem CID 81029583) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N-[[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine
PubChem CID81029583
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN-[[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine
SMILESC=C(CC)CC1CC(CC)CCC1CNC1CC1
InChIInChI=1S/C17H31N/c1-4-13(3)10-16-11-14(5-2)6-7-15(16)12-18-17-8-9-17/h14-18H,3-12H2,1-2H3
InChIKeyOCTWQSJWAHHZBY-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine (CID 81029583) is N-[[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine is C=C(CC)CC1CC(CC)CCC1CNC1CC1.
What is the InChIKey of N-[[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is OCTWQSJWAHHZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-4-13(3)10-16-11-14(5-2)6-7-15(16)12-18-17-8-9-17/h14-18H,3-12H2,1-2H3.
What are the key properties of N-[[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine?
N-[[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 249.44 g/mol, XLogP of 4.54, 7 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-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 81029583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).