2-(propylamino)prop-2-en-1-ol

C6H13NO — CID 88884742

IUPAC2-(propylamino)prop-2-en-1-ol
SMILESC=C(CO)NCCC
InChIInChI=1S/C6H13NO/c1-3-4-7-6(2)5-8/h7-8H,2-5H2,1H3
InChIKeyBLTWTWCEBUGWSY-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.49
Rot. Bonds4

About 2-(propylamino)prop-2-en-1-ol

2-(propylamino)prop-2-en-1-ol (PubChem CID 88884742) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-(propylamino)prop-2-en-1-ol.

Molecular Properties

Compound Name2-(propylamino)prop-2-en-1-ol
PubChem CID88884742
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-(propylamino)prop-2-en-1-ol
SMILESC=C(CO)NCCC
InChIInChI=1S/C6H13NO/c1-3-4-7-6(2)5-8/h7-8H,2-5H2,1H3
InChIKeyBLTWTWCEBUGWSY-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

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Related Compounds

2-(1-Fluoropropan-2-ylamino)prop-2-en-1-ol
CID 166898382
2-(2-Fluoroethylamino)prop-2-en-1-ol
CID 166898417
2-[(1-Methylethenyl)amino]ethanol
CID 15413083
2-(3-Methylbut-1-en-2-ylamino)ethanol
CID 59351297
2-[[(Z)-2-aminoprop-1-enyl]amino]ethanol
CID 87387433
2-(2-Hydroxyethylamino)prop-2-en-1-ol
CID 87850735
(Z)-2,3-bis(methylamino)prop-2-en-1-ol
CID 88953890
3-(Prop-1-en-2-ylamino)propan-1-ol
CID 88991895
2-(3-Methoxyprop-1-en-2-ylamino)ethanol
CID 89075896
(Z)-3-amino-2-(methylamino)prop-2-en-1-ol
CID 89206103
(2S)-2-(prop-1-en-2-ylamino)propan-1-ol
CID 89412006
(2R)-2-(prop-1-en-2-ylamino)propan-1-ol
CID 89412015

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)prop-2-en-1-ol?
The IUPAC name of 2-(propylamino)prop-2-en-1-ol (CID 88884742) is 2-(propylamino)prop-2-en-1-ol.
What is the SMILES notation for 2-(propylamino)prop-2-en-1-ol?
The canonical SMILES for 2-(propylamino)prop-2-en-1-ol is C=C(CO)NCCC.
What is the InChIKey of 2-(propylamino)prop-2-en-1-ol?
The InChIKey is BLTWTWCEBUGWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-4-7-6(2)5-8/h7-8H,2-5H2,1H3.
What are the key properties of 2-(propylamino)prop-2-en-1-ol?
2-(propylamino)prop-2-en-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 2-(propylamino)prop-2-en-1-ol is sourced from PubChem (CID 88884742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).