N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pentan-3-amine

C13H28N2O — CID 115716465

IUPACN-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pentan-3-amine
SMILESCCC(CC)NCC1CCCN1CCOC
InChIInChI=1S/C13H28N2O/c1-4-12(5-2)14-11-13-7-6-8-15(13)9-10-16-3/h12-14H,4-11H2,1-3H3
InChIKeyAKMATIKGTNTVCF-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds8

About N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pentan-3-amine

N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pentan-3-amine (PubChem CID 115716465) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pentan-3-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pentan-3-amine
PubChem CID115716465
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pentan-3-amine
SMILESCCC(CC)NCC1CCCN1CCOC
InChIInChI=1S/C13H28N2O/c1-4-12(5-2)14-11-13-7-6-8-15(13)9-10-16-3/h12-14H,4-11H2,1-3H3
InChIKeyAKMATIKGTNTVCF-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pentan-3-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-aminoethyl)piperidin-2-yl]methyl]pentan-3-amine
CID 19845975
N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pentan-3-amine
CID 103904920
N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581621
N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580938
N-[[1-(2-propoxyethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 106453472
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 115608918
1-(2-ethylbutyl)-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylguanidine;hydroiodide
CID 111891784
N-[[1-(3-methoxypropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62582162
[1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane
CID 159917406
N-[(1-propylpyrrolidin-2-yl)methyl]propan-2-amine
CID 62579817
N-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine
CID 43195916
N-[[1-(2-ethoxyethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62581842

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pentan-3-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pentan-3-amine (CID 115716465) is N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pentan-3-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pentan-3-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pentan-3-amine is CCC(CC)NCC1CCCN1CCOC.
What is the InChIKey of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pentan-3-amine?
The InChIKey is AKMATIKGTNTVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-12(5-2)14-11-13-7-6-8-15(13)9-10-16-3/h12-14H,4-11H2,1-3H3.
What are the key properties of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pentan-3-amine?
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pentan-3-amine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pentan-3-amine is sourced from PubChem (CID 115716465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).