2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methylpentan-1-amine

C14H30N2 — CID 83220839

IUPAC2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methylpentan-1-amine
SMILESCCC1CCC(C)N1CC(CN)CC(C)C
InChIInChI=1S/C14H30N2/c1-5-14-7-6-12(4)16(14)10-13(9-15)8-11(2)3/h11-14H,5-10,15H2,1-4H3
InChIKeyYTQRMDGKGYKCNY-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.87
Rot. Bonds6

About 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methylpentan-1-amine

2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methylpentan-1-amine (PubChem CID 83220839) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methylpentan-1-amine
PubChem CID83220839
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methylpentan-1-amine
SMILESCCC1CCC(C)N1CC(CN)CC(C)C
InChIInChI=1S/C14H30N2/c1-5-14-7-6-12(4)16(14)10-13(9-15)8-11(2)3/h11-14H,5-10,15H2,1-4H3
InChIKeyYTQRMDGKGYKCNY-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methylpentan-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

Related Compounds

2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pentan-1-amine
CID 83219988
(2S)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-amine
CID 103934796
2-ethyl-4-(2-ethyl-5-methylpyrrolidin-1-yl)butan-1-amine
CID 83219853
1-(2,2-dimethoxyethyl)-2-ethyl-5-methylpyrrolidine
CID 83220743
1-[2-(bromomethyl)-3-methylbutyl]-2-ethyl-5-methylpyrrolidine
CID 83218678
2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]butan-1-amine
CID 104967794
1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxybutan-2-amine
CID 83220245
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 83219344
1-[4-(aminomethyl)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol
CID 83227590
N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3-methylbutan-1-amine
CID 83221002
2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103071163
1-amino-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpropan-2-ol
CID 83224284

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methylpentan-1-amine?
The IUPAC name of 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methylpentan-1-amine (CID 83220839) is 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methylpentan-1-amine.
What is the SMILES notation for 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methylpentan-1-amine?
The canonical SMILES for 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methylpentan-1-amine is CCC1CCC(C)N1CC(CN)CC(C)C.
What is the InChIKey of 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methylpentan-1-amine?
The InChIKey is YTQRMDGKGYKCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-14-7-6-12(4)16(14)10-13(9-15)8-11(2)3/h11-14H,5-10,15H2,1-4H3.
What are the key properties of 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methylpentan-1-amine?
2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methylpentan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methylpentan-1-amine is sourced from PubChem (CID 83220839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).