3-(prop-1-en-2-ylamino)propan-1-ol

C6H13NO — CID 88991895

IUPAC3-(prop-1-en-2-ylamino)propan-1-ol
SMILESC=C(C)NCCCO
InChIInChI=1S/C6H13NO/c1-6(2)7-4-3-5-8/h7-8H,1,3-5H2,2H3
InChIKeyZJDLOTKZSGCWPG-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.49
Rot. Bonds4

About 3-(prop-1-en-2-ylamino)propan-1-ol

3-(prop-1-en-2-ylamino)propan-1-ol (PubChem CID 88991895) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-(prop-1-en-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-(prop-1-en-2-ylamino)propan-1-ol
PubChem CID88991895
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3-(prop-1-en-2-ylamino)propan-1-ol
SMILESC=C(C)NCCCO
InChIInChI=1S/C6H13NO/c1-6(2)7-4-3-5-8/h7-8H,1,3-5H2,2H3
InChIKeyZJDLOTKZSGCWPG-UHFFFAOYSA-N
XLogP0.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(1-Methylethenyl)amino]ethanol
CID 15413083
(Z)-2-(methylamino)prop-1-en-1-ol
CID 59658573
2-(Methylamino)prop-1-en-1-ol
CID 72349705
2-(Propylamino)prop-2-en-1-ol
CID 88884742
4-(Prop-1-en-2-ylamino)butan-1-ol
CID 88991961
3-(Prop-1-en-2-ylamino)propane-1,2-diol
CID 89371298
(2S)-2-(prop-1-en-2-ylamino)propan-1-ol
CID 89412006
(2R)-2-(prop-1-en-2-ylamino)propan-1-ol
CID 89412015
3-methoxy-N-prop-1-en-2-ylpropan-1-amine
CID 90249176
(E)-2-(ethylamino)but-1-en-1-ol
CID 126737351
3-(Prop-1-en-2-ylamino)cyclobutan-1-ol
CID 137417811
2-(But-1-en-2-ylamino)ethanol
CID 142167190

Frequently Asked Questions

What is the IUPAC name of 3-(prop-1-en-2-ylamino)propan-1-ol?
The IUPAC name of 3-(prop-1-en-2-ylamino)propan-1-ol (CID 88991895) is 3-(prop-1-en-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-(prop-1-en-2-ylamino)propan-1-ol?
The canonical SMILES for 3-(prop-1-en-2-ylamino)propan-1-ol is C=C(C)NCCCO.
What is the InChIKey of 3-(prop-1-en-2-ylamino)propan-1-ol?
The InChIKey is ZJDLOTKZSGCWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(2)7-4-3-5-8/h7-8H,1,3-5H2,2H3.
What are the key properties of 3-(prop-1-en-2-ylamino)propan-1-ol?
3-(prop-1-en-2-ylamino)propan-1-ol has a molecular weight of 115.18 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-1-en-2-ylamino)propan-1-ol is sourced from PubChem (CID 88991895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).