1-(1-aminopropan-2-yl)-3-ethylazetidin-3-ol

C8H18N2O — CID 130993404

IUPAC1-(1-aminopropan-2-yl)-3-ethylazetidin-3-ol
SMILESCCC1(O)CN(C(C)CN)C1
InChIInChI=1S/C8H18N2O/c1-3-8(11)5-10(6-8)7(2)4-9/h7,11H,3-6,9H2,1-2H3
InChIKeyXVFYUBKXANOODX-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.21
Rot. Bonds3

About 1-(1-aminopropan-2-yl)-3-ethylazetidin-3-ol

1-(1-aminopropan-2-yl)-3-ethylazetidin-3-ol (PubChem CID 130993404) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yl)-3-ethylazetidin-3-ol.

Molecular Properties

Compound Name1-(1-aminopropan-2-yl)-3-ethylazetidin-3-ol
PubChem CID130993404
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name1-(1-aminopropan-2-yl)-3-ethylazetidin-3-ol
SMILESCCC1(O)CN(C(C)CN)C1
InChIInChI=1S/C8H18N2O/c1-3-8(11)5-10(6-8)7(2)4-9/h7,11H,3-6,9H2,1-2H3
InChIKeyXVFYUBKXANOODX-UHFFFAOYSA-N
XLogP-0.21
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 ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 79677925
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3-ethyl-1-propan-2-ylpiperidin-3-ol
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1-(1-aminopropan-2-yl)azetidin-3-ol
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1-[1-(1-aminopropan-2-yl)piperidin-4-yl]ethanol
CID 106835616
2-(4-pentan-2-ylpiperazin-1-yl)propan-1-amine
CID 107895642
(2S)-2-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-methylpentan-1-one
CID 107219570
3-(2-aminoethyl)-1-propan-2-ylpyrrolidin-3-ol
CID 82503311
2-(4-hexylpiperazin-1-yl)propan-1-amine
CID 63340593
4-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)butan-1-one
CID 107219689
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3-amino-1-ethylcyclobutan-1-ol
CID 80561372

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-yl)-3-ethylazetidin-3-ol?
The IUPAC name of 1-(1-aminopropan-2-yl)-3-ethylazetidin-3-ol (CID 130993404) is 1-(1-aminopropan-2-yl)-3-ethylazetidin-3-ol.
What is the SMILES notation for 1-(1-aminopropan-2-yl)-3-ethylazetidin-3-ol?
The canonical SMILES for 1-(1-aminopropan-2-yl)-3-ethylazetidin-3-ol is CCC1(O)CN(C(C)CN)C1.
What is the InChIKey of 1-(1-aminopropan-2-yl)-3-ethylazetidin-3-ol?
The InChIKey is XVFYUBKXANOODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-3-8(11)5-10(6-8)7(2)4-9/h7,11H,3-6,9H2,1-2H3.
What are the key properties of 1-(1-aminopropan-2-yl)-3-ethylazetidin-3-ol?
1-(1-aminopropan-2-yl)-3-ethylazetidin-3-ol has a molecular weight of 158.24 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-yl)-3-ethylazetidin-3-ol is sourced from PubChem (CID 130993404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).