3-[1-[2-(aminomethyl)-3-methylbutyl]pyrrolidin-2-yl]propan-1-ol

C13H28N2O — CID 107443410

IUPAC3-[1-[2-(aminomethyl)-3-methylbutyl]pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)C(CN)CN1CCCC1CCCO
InChIInChI=1S/C13H28N2O/c1-11(2)12(9-14)10-15-7-3-5-13(15)6-4-8-16/h11-13,16H,3-10,14H2,1-2H3
InChIKeyDLROAOJYYBFDJQ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.45
Rot. Bonds7

About 3-[1-[2-(aminomethyl)-3-methylbutyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[2-(aminomethyl)-3-methylbutyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 107443410) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-[1-[2-(aminomethyl)-3-methylbutyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[2-(aminomethyl)-3-methylbutyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID107443410
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-[1-[2-(aminomethyl)-3-methylbutyl]pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)C(CN)CN1CCCC1CCCO
InChIInChI=1S/C13H28N2O/c1-11(2)12(9-14)10-15-7-3-5-13(15)6-4-8-16/h11-13,16H,3-10,14H2,1-2H3
InChIKeyDLROAOJYYBFDJQ-UHFFFAOYSA-N
XLogP1.45
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-[2-(aminomethyl)-3-methylbutyl]pyrrolidin-2-yl]propan-1-ol 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

(2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 106932811
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 62468156
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
2-[(2,3-dimethylpiperidin-1-yl)methyl]-3-methylbutan-1-amine
CID 65233318
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpropanehydrazide
CID 63571893
3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol
CID 83161632
2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol
CID 117028492
3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol
CID 80601823
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-3-methylbutan-1-amine
CID 65320352
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-one
CID 62612828
2-acetamido-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanoic acid
CID 64582737
2-[1-(2-methylpropyl)piperidin-2-yl]ethanol
CID 62021194

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(aminomethyl)-3-methylbutyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[2-(aminomethyl)-3-methylbutyl]pyrrolidin-2-yl]propan-1-ol (CID 107443410) is 3-[1-[2-(aminomethyl)-3-methylbutyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[2-(aminomethyl)-3-methylbutyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[2-(aminomethyl)-3-methylbutyl]pyrrolidin-2-yl]propan-1-ol is CC(C)C(CN)CN1CCCC1CCCO.
What is the InChIKey of 3-[1-[2-(aminomethyl)-3-methylbutyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is DLROAOJYYBFDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)12(9-14)10-15-7-3-5-13(15)6-4-8-16/h11-13,16H,3-10,14H2,1-2H3.
What are the key properties of 3-[1-[2-(aminomethyl)-3-methylbutyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[2-(aminomethyl)-3-methylbutyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(aminomethyl)-3-methylbutyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 107443410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).