N-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylbutan-1-amine

C12H26N2 — CID 83073024

IUPACN-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)CNCC1(CC)CCCN1
InChIInChI=1S/C12H26N2/c1-4-11(3)9-13-10-12(5-2)7-6-8-14-12/h11,13-14H,4-10H2,1-3H3
InChIKeyYJRHYEVVEZEEPM-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.15
Rot. Bonds6

About N-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylbutan-1-amine

N-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylbutan-1-amine (PubChem CID 83073024) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylbutan-1-amine
PubChem CID83073024
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)CNCC1(CC)CCCN1
InChIInChI=1S/C12H26N2/c1-4-11(3)9-13-10-12(5-2)7-6-8-14-12/h11,13-14H,4-10H2,1-3H3
InChIKeyYJRHYEVVEZEEPM-UHFFFAOYSA-N
XLogP2.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylbutan-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-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine
CID 106976388
2-ethyl-2-(2-methylpentyl)pyrrolidine
CID 66466921
N-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine
CID 83073874
N-[(2-ethylpyrrolidin-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 83072886
2-methyl-N-[(1-methylcyclopropyl)methyl]butan-1-amine
CID 103897149
N-[(2-ethylpyrrolidin-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 83074640
1-[(2-methylbutylamino)methyl]cyclohexan-1-ol
CID 62692015
2-methyl-N-[(2-methylthiolan-2-yl)methyl]butan-1-amine
CID 80722889
2,3-dimethyl-N-[(2-methylpyrrolidin-2-yl)methyl]butan-1-amine
CID 64599570
1-(3-bromothiophen-2-yl)-N-[(2-ethylpyrrolidin-2-yl)methyl]methanamine
CID 83072733
2,2-bis(2-methylpropyl)pyrrolidine
CID 66465846
2-ethyl-2-(2-ethylhexyl)pyrrolidine
CID 66468510

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylbutan-1-amine?
The IUPAC name of N-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylbutan-1-amine (CID 83073024) is N-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylbutan-1-amine?
The canonical SMILES for N-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylbutan-1-amine is CCC(C)CNCC1(CC)CCCN1.
What is the InChIKey of N-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylbutan-1-amine?
The InChIKey is YJRHYEVVEZEEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-11(3)9-13-10-12(5-2)7-6-8-14-12/h11,13-14H,4-10H2,1-3H3.
What are the key properties of N-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylbutan-1-amine?
N-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylbutan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylbutan-1-amine is sourced from PubChem (CID 83073024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).