1-(1-amino-3-methylbutan-2-yl)azetidin-3-ol

C8H18N2O — CID 82415729

IUPAC1-(1-amino-3-methylbutan-2-yl)azetidin-3-ol
SMILESCC(C)C(CN)N1CC(O)C1
InChIInChI=1S/C8H18N2O/c1-6(2)8(3-9)10-4-7(11)5-10/h6-8,11H,3-5,9H2,1-2H3
InChIKeyAJGNIHNXVQEUPA-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.35
Rot. Bonds3

About 1-(1-amino-3-methylbutan-2-yl)azetidin-3-ol

1-(1-amino-3-methylbutan-2-yl)azetidin-3-ol (PubChem CID 82415729) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-(1-amino-3-methylbutan-2-yl)azetidin-3-ol.

Molecular Properties

Compound Name1-(1-amino-3-methylbutan-2-yl)azetidin-3-ol
PubChem CID82415729
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name1-(1-amino-3-methylbutan-2-yl)azetidin-3-ol
SMILESCC(C)C(CN)N1CC(O)C1
InChIInChI=1S/C8H18N2O/c1-6(2)8(3-9)10-4-7(11)5-10/h6-8,11H,3-5,9H2,1-2H3
InChIKeyAJGNIHNXVQEUPA-UHFFFAOYSA-N
XLogP-0.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-amino-3-methylbutan-2-yl)pyrrolidin-3-ol
CID 68572333
1-(1-amino-3-methylbutan-2-yl)piperidin-4-ol
CID 82405643
3-methyl-2-(3-propan-2-ylazetidin-1-yl)butan-1-amine
CID 79677583
1-(1-aminopropan-2-yl)azetidin-3-ol
CID 83815022
(2S)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 51624584
1-(3-methylpentan-2-yl)azetidin-3-ol
CID 130698575
(2S)-3-methyl-2-morpholin-4-ylbutan-1-amine
CID 51624538
1-(1-nitroethyl)azetidin-3-ol
CID 141210925
1-pentan-2-ylazetidin-3-ol
CID 20517350
(3S)-1-[(2R)-3-methylbutan-2-yl]pyrrolidin-3-ol
CID 172508295
3-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine
CID 61217888
2-(8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-amine
CID 63157149

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-3-methylbutan-2-yl)azetidin-3-ol?
The IUPAC name of 1-(1-amino-3-methylbutan-2-yl)azetidin-3-ol (CID 82415729) is 1-(1-amino-3-methylbutan-2-yl)azetidin-3-ol.
What is the SMILES notation for 1-(1-amino-3-methylbutan-2-yl)azetidin-3-ol?
The canonical SMILES for 1-(1-amino-3-methylbutan-2-yl)azetidin-3-ol is CC(C)C(CN)N1CC(O)C1.
What is the InChIKey of 1-(1-amino-3-methylbutan-2-yl)azetidin-3-ol?
The InChIKey is AJGNIHNXVQEUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-6(2)8(3-9)10-4-7(11)5-10/h6-8,11H,3-5,9H2,1-2H3.
What are the key properties of 1-(1-amino-3-methylbutan-2-yl)azetidin-3-ol?
1-(1-amino-3-methylbutan-2-yl)azetidin-3-ol has a molecular weight of 158.24 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-3-methylbutan-2-yl)azetidin-3-ol is sourced from PubChem (CID 82415729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).