1-amino-2-(1-methylpyrrolidin-3-yl)ethanol

C7H16N2O — CID 163605612

IUPAC1-amino-2-(1-methylpyrrolidin-3-yl)ethanol
SMILESCN1CCC(CC(N)O)C1
InChIInChI=1S/C7H16N2O/c1-9-3-2-6(5-9)4-7(8)10/h6-7,10H,2-5,8H2,1H3
InChIKeyHBMQRBIIWCAAKK-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.39
Rot. Bonds2

About 1-amino-2-(1-methylpyrrolidin-3-yl)ethanol

1-amino-2-(1-methylpyrrolidin-3-yl)ethanol (PubChem CID 163605612) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 1-amino-2-(1-methylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name1-amino-2-(1-methylpyrrolidin-3-yl)ethanol
PubChem CID163605612
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name1-amino-2-(1-methylpyrrolidin-3-yl)ethanol
SMILESCN1CCC(CC(N)O)C1
InChIInChI=1S/C7H16N2O/c1-9-3-2-6(5-9)4-7(8)10/h6-7,10H,2-5,8H2,1H3
InChIKeyHBMQRBIIWCAAKK-UHFFFAOYSA-N
XLogP-0.39
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.39
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

2-(Pyrrolidin-3-yl)ethan-1-ol
CID 12612441
2-(1-Methylpyrrolidin-3-yl)ethan-1-ol
CID 21191123
2-(Pyrrolidin-3-yl)ethanol hydrochloride
CID 23079943
2-[(3S)-pyrrolidin-3-yl]ethan-1-ol hydrochloride
CID 71646442
2-[(3R)-pyrrolidin-3-yl]ethan-1-ol hydrochloride
CID 71646443
2-[1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol
CID 103366482
3-Ethylpyrrolidin-2-ol
CID 18185990
2-Amino-2-(1-methylpyrrolidin-3-yl)ethanol
CID 20763662
2-(1-Ethylpyrrolidin-3-yl)ethanol
CID 21702793
(3S)-3-Pyrrolidineethanol
CID 24748925
(3R)-3-Pyrrolidineethanol
CID 34180551
2-(1-Pentylpyrrolidin-3-yl)ethanol
CID 53826703

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(1-methylpyrrolidin-3-yl)ethanol?
The IUPAC name of 1-amino-2-(1-methylpyrrolidin-3-yl)ethanol (CID 163605612) is 1-amino-2-(1-methylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 1-amino-2-(1-methylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 1-amino-2-(1-methylpyrrolidin-3-yl)ethanol is CN1CCC(CC(N)O)C1.
What is the InChIKey of 1-amino-2-(1-methylpyrrolidin-3-yl)ethanol?
The InChIKey is HBMQRBIIWCAAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-9-3-2-6(5-9)4-7(8)10/h6-7,10H,2-5,8H2,1H3.
What are the key properties of 1-amino-2-(1-methylpyrrolidin-3-yl)ethanol?
1-amino-2-(1-methylpyrrolidin-3-yl)ethanol has a molecular weight of 144.22 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(1-methylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 163605612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).