N-ethyl-4-methyl-1-(1-phenylcyclobutyl)pentan-1-amine

C18H29N — CID 63417531

IUPACN-ethyl-4-methyl-1-(1-phenylcyclobutyl)pentan-1-amine
SMILESCCNC(CCC(C)C)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H29N/c1-4-19-17(12-11-15(2)3)18(13-8-14-18)16-9-6-5-7-10-16/h5-7,9-10,15,17,19H,4,8,11-14H2,1-3H3
InChIKeyWYJQUCLGLMGSEN-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.52
Rot. Bonds7

About N-ethyl-4-methyl-1-(1-phenylcyclobutyl)pentan-1-amine

N-ethyl-4-methyl-1-(1-phenylcyclobutyl)pentan-1-amine (PubChem CID 63417531) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-(1-phenylcyclobutyl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-(1-phenylcyclobutyl)pentan-1-amine
PubChem CID63417531
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-ethyl-4-methyl-1-(1-phenylcyclobutyl)pentan-1-amine
SMILESCCNC(CCC(C)C)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H29N/c1-4-19-17(12-11-15(2)3)18(13-8-14-18)16-9-6-5-7-10-16/h5-7,9-10,15,17,19H,4,8,11-14H2,1-3H3
InChIKeyWYJQUCLGLMGSEN-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-ethyl-4-methyl-1-(1-phenylcyclobutyl)pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-(1-phenylcyclobutyl)pentan-1-amine?
The IUPAC name of N-ethyl-4-methyl-1-(1-phenylcyclobutyl)pentan-1-amine (CID 63417531) is N-ethyl-4-methyl-1-(1-phenylcyclobutyl)pentan-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-(1-phenylcyclobutyl)pentan-1-amine?
The canonical SMILES for N-ethyl-4-methyl-1-(1-phenylcyclobutyl)pentan-1-amine is CCNC(CCC(C)C)C1(c2ccccc2)CCC1.
What is the InChIKey of N-ethyl-4-methyl-1-(1-phenylcyclobutyl)pentan-1-amine?
The InChIKey is WYJQUCLGLMGSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-19-17(12-11-15(2)3)18(13-8-14-18)16-9-6-5-7-10-16/h5-7,9-10,15,17,19H,4,8,11-14H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-1-(1-phenylcyclobutyl)pentan-1-amine?
N-ethyl-4-methyl-1-(1-phenylcyclobutyl)pentan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-(1-phenylcyclobutyl)pentan-1-amine is sourced from PubChem (CID 63417531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).