N-[cyclopentyl-(2-methyloxan-2-yl)methyl]ethanamine

C14H27NO — CID 80683659

IUPACN-[cyclopentyl-(2-methyloxan-2-yl)methyl]ethanamine
SMILESCCNC(C1CCCC1)C1(C)CCCCO1
InChIInChI=1S/C14H27NO/c1-3-15-13(12-8-4-5-9-12)14(2)10-6-7-11-16-14/h12-13,15H,3-11H2,1-2H3
InChIKeyULBKXSHYXZLSSO-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds4

About N-[cyclopentyl-(2-methyloxan-2-yl)methyl]ethanamine

N-[cyclopentyl-(2-methyloxan-2-yl)methyl]ethanamine (PubChem CID 80683659) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[cyclopentyl-(2-methyloxan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopentyl-(2-methyloxan-2-yl)methyl]ethanamine
PubChem CID80683659
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-[cyclopentyl-(2-methyloxan-2-yl)methyl]ethanamine
SMILESCCNC(C1CCCC1)C1(C)CCCCO1
InChIInChI=1S/C14H27NO/c1-3-15-13(12-8-4-5-9-12)14(2)10-6-7-11-16-14/h12-13,15H,3-11H2,1-2H3
InChIKeyULBKXSHYXZLSSO-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[cyclopentyl-(2-methyloxan-2-yl)methyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

[cyclopentyl-(2-methyloxolan-2-yl)methyl]hydrazine
CID 105250716
N-[cyclobutyl-(1-methylcyclopentyl)methyl]ethanamine
CID 105049630
1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 80684611
N-[cyclohexyl-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 116765789
N-[cyclohexyl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116768830
N-methyl-1-(2-methyloxan-2-yl)-1-(oxan-3-yl)methanamine
CID 107136743
N-[2,6-dioxaspiro[4.5]decan-9-yl-(1-methylcyclohexyl)methyl]ethanamine
CID 106830408
N-[cycloheptyl-(1-phenylcyclobutyl)methyl]ethanamine
CID 82932692
2-cyclopropyl-1-(2-methyloxan-2-yl)ethanol
CID 80684699
N-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 116768366
N-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 116768449
1-[ethylamino-(4-methylcyclohexyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066377

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-(2-methyloxan-2-yl)methyl]ethanamine?
The IUPAC name of N-[cyclopentyl-(2-methyloxan-2-yl)methyl]ethanamine (CID 80683659) is N-[cyclopentyl-(2-methyloxan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclopentyl-(2-methyloxan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclopentyl-(2-methyloxan-2-yl)methyl]ethanamine is CCNC(C1CCCC1)C1(C)CCCCO1.
What is the InChIKey of N-[cyclopentyl-(2-methyloxan-2-yl)methyl]ethanamine?
The InChIKey is ULBKXSHYXZLSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-15-13(12-8-4-5-9-12)14(2)10-6-7-11-16-14/h12-13,15H,3-11H2,1-2H3.
What are the key properties of N-[cyclopentyl-(2-methyloxan-2-yl)methyl]ethanamine?
N-[cyclopentyl-(2-methyloxan-2-yl)methyl]ethanamine has a molecular weight of 225.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-(2-methyloxan-2-yl)methyl]ethanamine is sourced from PubChem (CID 80683659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).