1-amino-3-cyclobutylpropan-2-ol

C7H15NO — CID 83478744

IUPAC1-amino-3-cyclobutylpropan-2-ol
SMILESNCC(O)CC1CCC1
InChIInChI=1S/C7H15NO/c8-5-7(9)4-6-2-1-3-6/h6-7,9H,1-5,8H2
InChIKeyRVKMPHNKAYFWOY-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.50
Rot. Bonds3

About 1-amino-3-cyclobutylpropan-2-ol

1-amino-3-cyclobutylpropan-2-ol (PubChem CID 83478744) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-amino-3-cyclobutylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-cyclobutylpropan-2-ol
PubChem CID83478744
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-amino-3-cyclobutylpropan-2-ol
SMILESNCC(O)CC1CCC1
InChIInChI=1S/C7H15NO/c8-5-7(9)4-6-2-1-3-6/h6-7,9H,1-5,8H2
InChIKeyRVKMPHNKAYFWOY-UHFFFAOYSA-N
XLogP0.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-(1-methylpiperidin-3-yl)propan-2-ol
CID 83481488
(2S)-3-cyclobutyl-2-fluoropropan-1-amine
CID 129375572
1-cyclopentyl-3-hydrazinylpropan-2-ol
CID 103156923
1-cyclobutylhex-5-yn-2-ol
CID 103170011
(2R)-1-cyclohexylbutan-2-ol
CID 59949714
1-cyclobutylhex-4-yn-2-ol
CID 103169912
(2S,3R)-3-amino-1-cyclobutylbutan-2-ol
CID 124673545
1-cyclopentyl-3-(oxan-4-yl)propan-2-ol
CID 115789647
1-(3-aminopropylsulfanyl)-3-cyclopentylpropan-2-ol
CID 103158859
4-amino-1,4-dicyclohexylbutan-2-ol;hydrochloride
CID 174274064
1-cyclobutyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 105100757
1-cyclohexylpent-4-en-2-ol
CID 13166988

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclobutylpropan-2-ol?
The IUPAC name of 1-amino-3-cyclobutylpropan-2-ol (CID 83478744) is 1-amino-3-cyclobutylpropan-2-ol.
What is the SMILES notation for 1-amino-3-cyclobutylpropan-2-ol?
The canonical SMILES for 1-amino-3-cyclobutylpropan-2-ol is NCC(O)CC1CCC1.
What is the InChIKey of 1-amino-3-cyclobutylpropan-2-ol?
The InChIKey is RVKMPHNKAYFWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c8-5-7(9)4-6-2-1-3-6/h6-7,9H,1-5,8H2.
What are the key properties of 1-amino-3-cyclobutylpropan-2-ol?
1-amino-3-cyclobutylpropan-2-ol has a molecular weight of 129.20 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclobutylpropan-2-ol is sourced from PubChem (CID 83478744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).