1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol

C10H22N2O — CID 114496411

IUPAC1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol
SMILESCCC(C)(O)CN1CCC(CN)C1
InChIInChI=1S/C10H22N2O/c1-3-10(2,13)8-12-5-4-9(6-11)7-12/h9,13H,3-8,11H2,1-2H3
InChIKeyZEHYUKWRCHLPEI-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.43
Rot. Bonds4

About 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol

1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol (PubChem CID 114496411) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol
PubChem CID114496411
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol
SMILESCCC(C)(O)CN1CCC(CN)C1
InChIInChI=1S/C10H22N2O/c1-3-10(2,13)8-12-5-4-9(6-11)7-12/h9,13H,3-8,11H2,1-2H3
InChIKeyZEHYUKWRCHLPEI-UHFFFAOYSA-N
XLogP0.43
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylpiperidin-1-yl)-2-methylbutan-2-ol
CID 114495376
2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]butan-2-ol
CID 114496386
1-amino-2-methyl-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 64820487
[1-[2-(aminomethyl)-2-methylbutyl]pyrrolidin-3-yl]methanol
CID 112629027
3-[1-(2-hydroxy-2-methylbutyl)piperidin-3-yl]propanoic acid
CID 114494868
[(3S)-1-butylpyrrolidin-3-yl]methanamine
CID 42257234
[1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanamine
CID 83144621
[1-(2,2-difluoropropyl)piperidin-3-yl]methanamine
CID 84664103
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-methylbutan-2-ol
CID 114496600
[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 114515912
2-[1-[2-(aminomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol
CID 114800154
1-(2-hydroxy-2-methylbutyl)piperidine-3-carbaldehyde
CID 114496935

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol (CID 114496411) is 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol is CCC(C)(O)CN1CCC(CN)C1.
What is the InChIKey of 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol?
The InChIKey is ZEHYUKWRCHLPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-3-10(2,13)8-12-5-4-9(6-11)7-12/h9,13H,3-8,11H2,1-2H3.
What are the key properties of 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol?
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol has a molecular weight of 186.30 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 114496411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).