amino(pyrrolidin-1-yl)methanol

C5H12N2O — CID 57207139

IUPACamino(pyrrolidin-1-yl)methanol
SMILESNC(O)N1CCCC1
InChIInChI=1S/C5H12N2O/c6-5(8)7-3-1-2-4-7/h5,8H,1-4,6H2
InChIKeyRWDIUMJPELAYQV-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.68
Rot. Bonds1

About amino(pyrrolidin-1-yl)methanol

amino(pyrrolidin-1-yl)methanol (PubChem CID 57207139) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is amino(pyrrolidin-1-yl)methanol.

Molecular Properties

Compound Nameamino(pyrrolidin-1-yl)methanol
PubChem CID57207139
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Nameamino(pyrrolidin-1-yl)methanol
SMILESNC(O)N1CCCC1
InChIInChI=1S/C5H12N2O/c6-5(8)7-3-1-2-4-7/h5,8H,1-4,6H2
InChIKeyRWDIUMJPELAYQV-UHFFFAOYSA-N
XLogP-0.68
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

amino(piperidin-1-yl)methanol
CID 91080151
1,3-diamino-1-pyrrolidin-1-ylpropan-2-ol
CID 66701816
2-amino-1-pyrrolidin-1-ylethanol
CID 70023810
(1S)-1-piperidin-1-ylethanol
CID 86312531
3-amino-1-pyrrolidin-1-ylpropan-1-ol
CID 21283822
(1S)-1-pyrrolidin-1-ylethane-1,2-diol
CID 143982374
propan-2-amine;1-propan-2-ylpiperidine
CID 142245197
(2S,3R)-3-pyrrolidin-1-ylbutan-2-ol
CID 59057792
3-amino-2-(azocan-1-yl)propan-1-ol
CID 104710806
(2R,3R)-3-piperidin-1-ylbutan-2-ol
CID 51980607
3-amino-2-piperidin-1-ylbutanoic acid
CID 67056291
(methylideneamino)-piperidin-1-ylmethanol
CID 159673764

Frequently Asked Questions

What is the IUPAC name of amino(pyrrolidin-1-yl)methanol?
The IUPAC name of amino(pyrrolidin-1-yl)methanol (CID 57207139) is amino(pyrrolidin-1-yl)methanol.
What is the SMILES notation for amino(pyrrolidin-1-yl)methanol?
The canonical SMILES for amino(pyrrolidin-1-yl)methanol is NC(O)N1CCCC1.
What is the InChIKey of amino(pyrrolidin-1-yl)methanol?
The InChIKey is RWDIUMJPELAYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c6-5(8)7-3-1-2-4-7/h5,8H,1-4,6H2.
What are the key properties of amino(pyrrolidin-1-yl)methanol?
amino(pyrrolidin-1-yl)methanol has a molecular weight of 116.16 g/mol, XLogP of -0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino(pyrrolidin-1-yl)methanol is sourced from PubChem (CID 57207139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).