3-aminopropan-1-ol;ethane

C5H15NO — CID 91172061

IUPAC3-aminopropan-1-ol;ethane
SMILESCC.NCCCO
InChIInChI=1S/C3H9NO.C2H6/c4-2-1-3-5;1-2/h5H,1-4H2;1-2H3
InChIKeyNHEMERAHVVFYIL-UHFFFAOYSA-N
MW105.18 g/mol
LogP0.35
Rot. Bonds2

About 3-aminopropan-1-ol;ethane

3-aminopropan-1-ol;ethane (PubChem CID 91172061) has the molecular formula C5H15NO and a molecular weight of 105.18 g/mol. Its IUPAC name is 3-aminopropan-1-ol;ethane.

Molecular Properties

Compound Name3-aminopropan-1-ol;ethane
PubChem CID91172061
Molecular FormulaC5H15NO
Molecular Weight105.18 g/mol
Exact Mass105.12
IUPAC Name3-aminopropan-1-ol;ethane
SMILESCC.NCCCO
InChIInChI=1S/C3H9NO.C2H6/c4-2-1-3-5;1-2/h5H,1-4H2;1-2H3
InChIKeyNHEMERAHVVFYIL-UHFFFAOYSA-N
XLogP0.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.18
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

sodium;3-aminopropan-1-ol;hydride
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3-aminopropan-1-ol;2,2-dimethylpropanoic acid
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CID 21259387
3-aminopropan-1-ol;2,4,4-trimethylpentan-2-amine
CID 22649806
dodecan-1-amine;hexan-1-ol
CID 90011077
2-aminoethanol;butan-1-ol
CID 23216731
3-[3-aminopropyl(methyl)amino]propan-1-ol
CID 45088131

Frequently Asked Questions

What is the IUPAC name of 3-aminopropan-1-ol;ethane?
The IUPAC name of 3-aminopropan-1-ol;ethane (CID 91172061) is 3-aminopropan-1-ol;ethane.
What is the SMILES notation for 3-aminopropan-1-ol;ethane?
The canonical SMILES for 3-aminopropan-1-ol;ethane is CC.NCCCO.
What is the InChIKey of 3-aminopropan-1-ol;ethane?
The InChIKey is NHEMERAHVVFYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.C2H6/c4-2-1-3-5;1-2/h5H,1-4H2;1-2H3.
What are the key properties of 3-aminopropan-1-ol;ethane?
3-aminopropan-1-ol;ethane has a molecular weight of 105.18 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropan-1-ol;ethane is sourced from PubChem (CID 91172061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).