3-(4-amino-1-methylpyrrolidin-3-yl)propan-1-ol

C8H18N2O — CID 91381665

IUPAC3-(4-amino-1-methylpyrrolidin-3-yl)propan-1-ol
SMILESCN1CC(N)C(CCCO)C1
InChIInChI=1S/C8H18N2O/c1-10-5-7(3-2-4-11)8(9)6-10/h7-8,11H,2-6,9H2,1H3
InChIKeyVZWITFUGVDMPFU-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.35
Rot. Bonds3

About 3-(4-amino-1-methylpyrrolidin-3-yl)propan-1-ol

3-(4-amino-1-methylpyrrolidin-3-yl)propan-1-ol (PubChem CID 91381665) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-(4-amino-1-methylpyrrolidin-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-amino-1-methylpyrrolidin-3-yl)propan-1-ol
PubChem CID91381665
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name3-(4-amino-1-methylpyrrolidin-3-yl)propan-1-ol
SMILESCN1CC(N)C(CCCO)C1
InChIInChI=1S/C8H18N2O/c1-10-5-7(3-2-4-11)8(9)6-10/h7-8,11H,2-6,9H2,1H3
InChIKeyVZWITFUGVDMPFU-UHFFFAOYSA-N
XLogP-0.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-amino-1-methylpyrrolidin-3-yl)propanoic acid
CID 105435135
3,5-bis(2-hydroxyethyl)-1-methylpiperidin-4-ol
CID 129236515
4-butyl-1-methylpyrrolidin-3-ol
CID 140584543
4-(1-methylpiperidin-3-yl)butan-1-ol
CID 70064070
(3R,4R,5R)-5-(hydroxymethyl)-1-methylpiperidine-3,4-diol;hydrochloride
CID 172714934
3,4-bis[2-[4-[2-(4-ethyl-1-methylpyrrolidin-3-yl)ethyl]-1-methylpyrrolidin-3-yl]ethyl]-1-methylpyrrolidine
CID 90382204
1-[4-[[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]phenyl]ethanone
CID 72842287
2-(4-amino-3-ethylpiperidin-1-yl)ethanol
CID 81459105
(2S)-2-tert-butyl-3-(3-hydroxypropyl)pyrrolidine-1-carboxylic acid
CID 176886938
6-(4-aminopiperidin-1-yl)hexan-1-ol
CID 70276836
1,3-dimethyl-4-pentylpyrrolidine
CID 145095379
[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol
CID 147748171

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1-methylpyrrolidin-3-yl)propan-1-ol?
The IUPAC name of 3-(4-amino-1-methylpyrrolidin-3-yl)propan-1-ol (CID 91381665) is 3-(4-amino-1-methylpyrrolidin-3-yl)propan-1-ol.
What is the SMILES notation for 3-(4-amino-1-methylpyrrolidin-3-yl)propan-1-ol?
The canonical SMILES for 3-(4-amino-1-methylpyrrolidin-3-yl)propan-1-ol is CN1CC(N)C(CCCO)C1.
What is the InChIKey of 3-(4-amino-1-methylpyrrolidin-3-yl)propan-1-ol?
The InChIKey is VZWITFUGVDMPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-10-5-7(3-2-4-11)8(9)6-10/h7-8,11H,2-6,9H2,1H3.
What are the key properties of 3-(4-amino-1-methylpyrrolidin-3-yl)propan-1-ol?
3-(4-amino-1-methylpyrrolidin-3-yl)propan-1-ol has a molecular weight of 158.24 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1-methylpyrrolidin-3-yl)propan-1-ol is sourced from PubChem (CID 91381665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).