N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methylbutan-2-amine

C14H29NO — CID 115728783

IUPACN-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methylbutan-2-amine
SMILESCOCCC1(CNC(C)C(C)C)CCCC1
InChIInChI=1S/C14H29NO/c1-12(2)13(3)15-11-14(9-10-16-4)7-5-6-8-14/h12-13,15H,5-11H2,1-4H3
InChIKeyJSQOXKRLLUEQQJ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds7

About N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methylbutan-2-amine

N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methylbutan-2-amine (PubChem CID 115728783) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methylbutan-2-amine
PubChem CID115728783
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methylbutan-2-amine
SMILESCOCCC1(CNC(C)C(C)C)CCCC1
InChIInChI=1S/C14H29NO/c1-12(2)13(3)15-11-14(9-10-16-4)7-5-6-8-14/h12-13,15H,5-11H2,1-4H3
InChIKeyJSQOXKRLLUEQQJ-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methylbutan-2-amine 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

N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-methylbutan-2-amine
CID 115728811
N-[[1-(4-methoxybutyl)cyclopentyl]methyl]propan-2-amine
CID 104649326
N-[[1-(4-methoxybutyl)cyclohexyl]methyl]propan-2-amine
CID 104649319
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylpentan-2-amine
CID 115894858
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]hexan-3-amine
CID 115906230
1-[1-(2-methoxyethyl)cyclobutyl]-N-methylmethanamine
CID 65194306
2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
CID 62723578
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-2-amine
CID 66024015
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine
CID 62723573
2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-N-propan-2-ylpropanamide
CID 114112889
N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]propan-2-amine
CID 115003005
2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119344536

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methylbutan-2-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methylbutan-2-amine (CID 115728783) is N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methylbutan-2-amine is COCCC1(CNC(C)C(C)C)CCCC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methylbutan-2-amine?
The InChIKey is JSQOXKRLLUEQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(2)13(3)15-11-14(9-10-16-4)7-5-6-8-14/h12-13,15H,5-11H2,1-4H3.
What are the key properties of N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methylbutan-2-amine?
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methylbutan-2-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methylbutan-2-amine is sourced from PubChem (CID 115728783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).