[3-amino-1-(3-methylbutyl)pyrrolidin-3-yl]methanol

C10H22N2O — CID 117012217

IUPAC[3-amino-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
SMILESCC(C)CCN1CCC(N)(CO)C1
InChIInChI=1S/C10H22N2O/c1-9(2)3-5-12-6-4-10(11,7-12)8-13/h9,13H,3-8,11H2,1-2H3
InChIKeyIWLHFMSMMNOTIN-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.43
Rot. Bonds4

About [3-amino-1-(3-methylbutyl)pyrrolidin-3-yl]methanol

[3-amino-1-(3-methylbutyl)pyrrolidin-3-yl]methanol (PubChem CID 117012217) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is [3-amino-1-(3-methylbutyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-amino-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
PubChem CID117012217
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name[3-amino-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
SMILESCC(C)CCN1CCC(N)(CO)C1
InChIInChI=1S/C10H22N2O/c1-9(2)3-5-12-6-4-10(11,7-12)8-13/h9,13H,3-8,11H2,1-2H3
InChIKeyIWLHFMSMMNOTIN-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

(3-amino-1-methylpyrrolidin-3-yl)methanol;ethane
CID 171517392
4-(aminomethyl)-1-(3-methylbutyl)piperidin-4-ol
CID 82282305
3-ethynyl-1-(3-methylbutyl)pyrrolidin-3-ol
CID 130992083
4,4-difluoro-1-(3-methylbutyl)piperidine
CID 20811830
2-[3-amino-1-(2-hydroxyethyl)pyrrolidin-3-yl]ethanol
CID 83914712
4-methyl-1-(3-methylbutyl)piperidine-4-carboxylic acid
CID 55168038
(3-amino-1-butan-2-ylpyrrolidin-3-yl)methanol
CID 117012200
3,3-difluoro-1-(3-methylbutyl)piperidine
CID 59748001
(4-amino-1-butylpiperidin-4-yl)methanol
CID 117012084
2-(3-methylbutyl)-2,8-diazaspiro[4.5]decane
CID 82470794
[(3S)-3-amino-1-benzylpyrrolidin-3-yl]methanol
CID 93087782
N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine
CID 106318615

Frequently Asked Questions

What is the IUPAC name of [3-amino-1-(3-methylbutyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [3-amino-1-(3-methylbutyl)pyrrolidin-3-yl]methanol (CID 117012217) is [3-amino-1-(3-methylbutyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-amino-1-(3-methylbutyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-amino-1-(3-methylbutyl)pyrrolidin-3-yl]methanol is CC(C)CCN1CCC(N)(CO)C1.
What is the InChIKey of [3-amino-1-(3-methylbutyl)pyrrolidin-3-yl]methanol?
The InChIKey is IWLHFMSMMNOTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(2)3-5-12-6-4-10(11,7-12)8-13/h9,13H,3-8,11H2,1-2H3.
What are the key properties of [3-amino-1-(3-methylbutyl)pyrrolidin-3-yl]methanol?
[3-amino-1-(3-methylbutyl)pyrrolidin-3-yl]methanol 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 [3-amino-1-(3-methylbutyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 117012217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).