[3-(aminomethyl)pyrrolidin-3-yl]methanol

C6H14N2O — CID 22903668

IUPAC[3-(aminomethyl)pyrrolidin-3-yl]methanol
SMILESNCC1(CO)CCNC1
InChIInChI=1S/C6H14N2O/c7-3-6(5-9)1-2-8-4-6/h8-9H,1-5,7H2
InChIKeySOCIAWKDLHUOID-UHFFFAOYSA-N
MW130.19 g/mol
LogP-1.08
Rot. Bonds2

About [3-(aminomethyl)pyrrolidin-3-yl]methanol

[3-(aminomethyl)pyrrolidin-3-yl]methanol (PubChem CID 22903668) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-3-yl]methanol
PubChem CID22903668
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name[3-(aminomethyl)pyrrolidin-3-yl]methanol
SMILESNCC1(CO)CCNC1
InChIInChI=1S/C6H14N2O/c7-3-6(5-9)1-2-8-4-6/h8-9H,1-5,7H2
InChIKeySOCIAWKDLHUOID-UHFFFAOYSA-N
XLogP-1.08
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

D-beta-Prolinol
CID 7446913
(Pyrrolidin-3-yl)methanol
CID 13400657
(3-(Hydroxymethyl)pyrrolidin-3-yl)methanol
CID 22359935
(Pyrrolidin-3-yl)methanol hydrochloride
CID 23080030
(3S)-pyrrolidin-3-ylmethanol hydrochloride
CID 43810917
(3R)-pyrrolidin-3-ylmethanol hydrochloride
CID 43810918
rac-[(3R,4R)-4-methylpyrrolidin-3-yl]methanol
CID 49757939
(3-(Trifluoromethyl)pyrrolidin-3-yl)methanol hydrochloride
CID 53414538
(3-Methylpyrrolidin-3-yl)methanol hydrochloride
CID 66653455
(3-(Methoxymethyl)pyrrolidin-3-yl)methanol
CID 103985007
(3-Fluoropyrrolidin-3-yl)methanol hydrochloride
CID 112756484
(3S)-3-Pyrrolidinemethanol
CID 7446911

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [3-(aminomethyl)pyrrolidin-3-yl]methanol (CID 22903668) is [3-(aminomethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-3-yl]methanol is NCC1(CO)CCNC1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-3-yl]methanol?
The InChIKey is SOCIAWKDLHUOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c7-3-6(5-9)1-2-8-4-6/h8-9H,1-5,7H2.
What are the key properties of [3-(aminomethyl)pyrrolidin-3-yl]methanol?
[3-(aminomethyl)pyrrolidin-3-yl]methanol has a molecular weight of 130.19 g/mol, XLogP of -1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 22903668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).