2-pyrrolidin-3-ylbutan-1-amine

C8H18N2 — CID 82594434

IUPAC2-pyrrolidin-3-ylbutan-1-amine
SMILESCCC(CN)C1CCNC1
InChIInChI=1S/C8H18N2/c1-2-7(5-9)8-3-4-10-6-8/h7-8,10H,2-6,9H2,1H3
InChIKeyBPWDFMBHTOXQDA-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.58
Rot. Bonds3

About 2-pyrrolidin-3-ylbutan-1-amine

2-pyrrolidin-3-ylbutan-1-amine (PubChem CID 82594434) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 2-pyrrolidin-3-ylbutan-1-amine.

Molecular Properties

Compound Name2-pyrrolidin-3-ylbutan-1-amine
PubChem CID82594434
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name2-pyrrolidin-3-ylbutan-1-amine
SMILESCCC(CN)C1CCNC1
InChIInChI=1S/C8H18N2/c1-2-7(5-9)8-3-4-10-6-8/h7-8,10H,2-6,9H2,1H3
InChIKeyBPWDFMBHTOXQDA-UHFFFAOYSA-N
XLogP0.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-pyrrolidin-3-ylbutan-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

3-nonan-3-ylpyrrolidine
CID 146488434
(2R)-4-ethyl-2-piperidin-4-ylhexan-1-amine
CID 95241788
N,N-dimethyl-1-pyrrolidin-3-ylethane-1,2-diamine
CID 84763928
3-(4-chlorophenoxy)-2-pyrrolidin-3-ylpropan-1-amine
CID 117237962
3-(4-bromophenoxy)-2-pyrrolidin-3-ylpropan-1-amine
CID 117237963
4-methyl-2-piperidin-4-ylpentan-1-amine
CID 54593202
(2R)-4,4-dimethyl-2-piperidin-4-ylpentan-1-amine
CID 95241778
4-[(1S)-1-fluoropropyl]piperidine
CID 124547570
2-[(3S)-pyrrolidin-3-yl]butanoic acid
CID 166105507
(2S)-2-[(3R)-pyrrolidin-3-yl]butanoic acid
CID 96735707
(3R)-3-[(3S)-piperidin-3-yl]pentanoic acid
CID 95732457
3-methyl-1-pyrrolidin-3-ylbutan-1-amine
CID 82416019

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-ylbutan-1-amine?
The IUPAC name of 2-pyrrolidin-3-ylbutan-1-amine (CID 82594434) is 2-pyrrolidin-3-ylbutan-1-amine.
What is the SMILES notation for 2-pyrrolidin-3-ylbutan-1-amine?
The canonical SMILES for 2-pyrrolidin-3-ylbutan-1-amine is CCC(CN)C1CCNC1.
What is the InChIKey of 2-pyrrolidin-3-ylbutan-1-amine?
The InChIKey is BPWDFMBHTOXQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-2-7(5-9)8-3-4-10-6-8/h7-8,10H,2-6,9H2,1H3.
What are the key properties of 2-pyrrolidin-3-ylbutan-1-amine?
2-pyrrolidin-3-ylbutan-1-amine has a molecular weight of 142.25 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-ylbutan-1-amine is sourced from PubChem (CID 82594434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).