3-(aminomethyl)-1-cyclobutylpyrrolidin-3-ol

C9H18N2O — CID 115013788

IUPAC3-(aminomethyl)-1-cyclobutylpyrrolidin-3-ol
SMILESNCC1(O)CCN(C2CCC2)C1
InChIInChI=1S/C9H18N2O/c10-6-9(12)4-5-11(7-9)8-2-1-3-8/h8,12H,1-7,10H2
InChIKeyVLBFEKAXPBNPHX-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.07
Rot. Bonds2

About 3-(aminomethyl)-1-cyclobutylpyrrolidin-3-ol

3-(aminomethyl)-1-cyclobutylpyrrolidin-3-ol (PubChem CID 115013788) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-(aminomethyl)-1-cyclobutylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-1-cyclobutylpyrrolidin-3-ol
PubChem CID115013788
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-(aminomethyl)-1-cyclobutylpyrrolidin-3-ol
SMILESNCC1(O)CCN(C2CCC2)C1
InChIInChI=1S/C9H18N2O/c10-6-9(12)4-5-11(7-9)8-2-1-3-8/h8,12H,1-7,10H2
InChIKeyVLBFEKAXPBNPHX-UHFFFAOYSA-N
XLogP-0.07
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-prop-2-enylpyrrolidin-3-ol
CID 79734093
1-cyclobutyl-3-ethynylpyrrolidin-3-ol
CID 131223909
1-cyclopropyl-3-hexylpyrrolidin-3-ol
CID 65145661
[3-(azepan-1-yl)-1-cyclopropylpyrrolidin-3-yl]methanamine
CID 62976371
(3S)-3-(aminomethyl)-1-methylpiperidin-3-ol
CID 94998579
(6-cyclopropyl-6-azaspiro[3.4]octan-2-yl)methanamine
CID 71649148
1-cyclopropyl-3-[(4-methylphenyl)methyl]pyrrolidin-3-ol
CID 62977841
1-cyclopropyl-3-(2-phenylethyl)pyrrolidin-3-ol
CID 55142174
(3-amino-1-cyclopentylpiperidin-3-yl)methanol
CID 115021565
1-cyclobutyl-4,4-dimethylpiperidine
CID 70344031
3-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol
CID 79135758
3-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol
CID 79134939

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-cyclobutylpyrrolidin-3-ol?
The IUPAC name of 3-(aminomethyl)-1-cyclobutylpyrrolidin-3-ol (CID 115013788) is 3-(aminomethyl)-1-cyclobutylpyrrolidin-3-ol.
What is the SMILES notation for 3-(aminomethyl)-1-cyclobutylpyrrolidin-3-ol?
The canonical SMILES for 3-(aminomethyl)-1-cyclobutylpyrrolidin-3-ol is NCC1(O)CCN(C2CCC2)C1.
What is the InChIKey of 3-(aminomethyl)-1-cyclobutylpyrrolidin-3-ol?
The InChIKey is VLBFEKAXPBNPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c10-6-9(12)4-5-11(7-9)8-2-1-3-8/h8,12H,1-7,10H2.
What are the key properties of 3-(aminomethyl)-1-cyclobutylpyrrolidin-3-ol?
3-(aminomethyl)-1-cyclobutylpyrrolidin-3-ol has a molecular weight of 170.26 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-cyclobutylpyrrolidin-3-ol is sourced from PubChem (CID 115013788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).