(3-aminopyrrolidin-3-yl)methanol;hydrochloride

C5H13ClN2O — CID 129319695

IUPAC(3-aminopyrrolidin-3-yl)methanol;hydrochloride
SMILESCl.NC1(CO)CCNC1
InChIInChI=1S/C5H12N2O.ClH/c6-5(4-8)1-2-7-3-5;/h7-8H,1-4,6H2;1H
InChIKeyNHFJEFJTXAPFMM-UHFFFAOYSA-N
MW152.62 g/mol
LogP-0.91
Rot. Bonds1

About (3-aminopyrrolidin-3-yl)methanol;hydrochloride

(3-aminopyrrolidin-3-yl)methanol;hydrochloride (PubChem CID 129319695) has the molecular formula C5H13ClN2O and a molecular weight of 152.62 g/mol. Its IUPAC name is (3-aminopyrrolidin-3-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(3-aminopyrrolidin-3-yl)methanol;hydrochloride
PubChem CID129319695
Molecular FormulaC5H13ClN2O
Molecular Weight152.62 g/mol
Exact Mass152.07
IUPAC Name(3-aminopyrrolidin-3-yl)methanol;hydrochloride
SMILESCl.NC1(CO)CCNC1
InChIInChI=1S/C5H12N2O.ClH/c6-5(4-8)1-2-7-3-5;/h7-8H,1-4,6H2;1H
InChIKeyNHFJEFJTXAPFMM-UHFFFAOYSA-N
XLogP-0.91
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.62
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminoazepan-3-yl)methanol
CID 155145566
(3-aminopyrrolidin-3-yl)methanethiol
CID 19382154
2-(3-aminopyrrolidin-3-yl)acetamide
CID 83681833
1-(3-aminopyrrolidin-3-yl)propan-2-one
CID 115011479
(4-aminopiperidin-4-yl)methanol;ethoxyethane
CID 66797451
3-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
CID 86277019
2-(4-aminopiperidin-4-yl)acetic acid;hydrochloride
CID 138111407
2-(3-aminopyrrolidin-3-yl)acetonitrile
CID 83681717
(1-aminocyclopentyl)methanol
CID 157241161
methyl 2-(3-aminopyrrolidin-3-yl)acetate
CID 115012363
(1-aminocyclodecyl)methanol
CID 66910735
2-(4-aminopiperidin-4-yl)acetic acid
CID 18379201

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-3-yl)methanol;hydrochloride?
The IUPAC name of (3-aminopyrrolidin-3-yl)methanol;hydrochloride (CID 129319695) is (3-aminopyrrolidin-3-yl)methanol;hydrochloride.
What is the SMILES notation for (3-aminopyrrolidin-3-yl)methanol;hydrochloride?
The canonical SMILES for (3-aminopyrrolidin-3-yl)methanol;hydrochloride is Cl.NC1(CO)CCNC1.
What is the InChIKey of (3-aminopyrrolidin-3-yl)methanol;hydrochloride?
The InChIKey is NHFJEFJTXAPFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.ClH/c6-5(4-8)1-2-7-3-5;/h7-8H,1-4,6H2;1H.
What are the key properties of (3-aminopyrrolidin-3-yl)methanol;hydrochloride?
(3-aminopyrrolidin-3-yl)methanol;hydrochloride has a molecular weight of 152.62 g/mol, XLogP of -0.91, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-3-yl)methanol;hydrochloride is sourced from PubChem (CID 129319695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).