1-(4-aminobutyl)pyrrolidin-2-ol

C8H18N2O — CID 101255964

IUPAC1-(4-aminobutyl)pyrrolidin-2-ol
SMILESNCCCCN1CCCC1O
InChIInChI=1S/C8H18N2O/c9-5-1-2-6-10-7-3-4-8(10)11/h8,11H,1-7,9H2
InChIKeyJQBNFJSRFMNZJD-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.14
Rot. Bonds4

About 1-(4-aminobutyl)pyrrolidin-2-ol

1-(4-aminobutyl)pyrrolidin-2-ol (PubChem CID 101255964) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-(4-aminobutyl)pyrrolidin-2-ol.

Molecular Properties

Compound Name1-(4-aminobutyl)pyrrolidin-2-ol
PubChem CID101255964
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name1-(4-aminobutyl)pyrrolidin-2-ol
SMILESNCCCCN1CCCC1O
InChIInChI=1S/C8H18N2O/c9-5-1-2-6-10-7-3-4-8(10)11/h8,11H,1-7,9H2
InChIKeyJQBNFJSRFMNZJD-UHFFFAOYSA-N
XLogP0.14
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorobutyl)piperidin-2-ol
CID 53402871
7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)heptan-1-amine
CID 43628297
[1-(3-aminopropyl)pyrrolidin-2-yl]methanol;dihydrochloride
CID 175453731
methyl 1-(3-aminopropyl)pyrrolidine-2-carboxylate
CID 15879442
4-[2-(trifluoromethyl)piperidin-1-yl]butan-1-amine
CID 165436287
2-[(2S)-2-hydroxypyrrolidin-1-yl]acetic acid
CID 42614535
(E)-4-[1-(7-aminoheptyl)pyrrolidin-2-yl]but-3-en-2-one;ethane
CID 177231964
3-(1-pentylpyrrolidin-2-yl)propan-1-amine
CID 63762476
methyl 1-(5-aminopentyl)piperidine-2-carboxylate
CID 115533674
6-[2-(4-methylphenyl)pyrrolidin-1-yl]hexan-1-amine
CID 166174169
1-(4-aminobutyl)pyrrolidin-3-ol
CID 18550500
4-[3-[1-(4-aminobutyl)pyrrolidin-2-yl]piperazin-1-yl]butan-1-amine
CID 145151259

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutyl)pyrrolidin-2-ol?
The IUPAC name of 1-(4-aminobutyl)pyrrolidin-2-ol (CID 101255964) is 1-(4-aminobutyl)pyrrolidin-2-ol.
What is the SMILES notation for 1-(4-aminobutyl)pyrrolidin-2-ol?
The canonical SMILES for 1-(4-aminobutyl)pyrrolidin-2-ol is NCCCCN1CCCC1O.
What is the InChIKey of 1-(4-aminobutyl)pyrrolidin-2-ol?
The InChIKey is JQBNFJSRFMNZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c9-5-1-2-6-10-7-3-4-8(10)11/h8,11H,1-7,9H2.
What are the key properties of 1-(4-aminobutyl)pyrrolidin-2-ol?
1-(4-aminobutyl)pyrrolidin-2-ol has a molecular weight of 158.24 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutyl)pyrrolidin-2-ol is sourced from PubChem (CID 101255964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).