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

C6H13NO — CID 89412006

IUPAC(2S)-2-(prop-1-en-2-ylamino)propan-1-ol
SMILESC=C(C)N[C@@H](C)CO
InChIInChI=1S/C6H13NO/c1-5(2)7-6(3)4-8/h6-8H,1,4H2,2-3H3/t6-/m0/s1
InChIKeyRCOWOEAPMWITFN-LURJTMIESA-N
MW115.18 g/mol
LogP0.49
Rot. Bonds3

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

(2S)-2-(prop-1-en-2-ylamino)propan-1-ol (PubChem CID 89412006) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (2S)-2-(prop-1-en-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(prop-1-en-2-ylamino)propan-1-ol
PubChem CID89412006
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(2S)-2-(prop-1-en-2-ylamino)propan-1-ol
SMILESC=C(C)N[C@@H](C)CO
InChIInChI=1S/C6H13NO/c1-5(2)7-6(3)4-8/h6-8H,1,4H2,2-3H3/t6-/m0/s1
InChIKeyRCOWOEAPMWITFN-LURJTMIESA-N
XLogP0.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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-[(1-Methylethenyl)amino]ethanol
CID 15413083
2-(3-Methylbut-1-en-2-ylamino)ethanol
CID 59351297
2-(Prop-2-enylamino)propan-1-ol
CID 62141074
2-[[(Z)-2-aminoprop-1-enyl]amino]ethanol
CID 87387433
2-(2-Hydroxyethylamino)prop-2-en-1-ol
CID 87850735
2-(Propylamino)prop-2-en-1-ol
CID 88884742
3-(Prop-1-en-2-ylamino)propan-1-ol
CID 88991895
(2R)-2-(prop-1-en-2-ylamino)propan-1-ol
CID 89412015
2-[[(E)-but-2-en-2-yl]amino]ethanol
CID 118563699
1-(Prop-1-en-2-ylamino)ethane-1,2-diol
CID 134469667
1-[[(E)-but-2-en-2-yl]amino]propan-2-ol
CID 135234065

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(prop-1-en-2-ylamino)propan-1-ol?
The IUPAC name of (2S)-2-(prop-1-en-2-ylamino)propan-1-ol (CID 89412006) is (2S)-2-(prop-1-en-2-ylamino)propan-1-ol.
What is the SMILES notation for (2S)-2-(prop-1-en-2-ylamino)propan-1-ol?
The canonical SMILES for (2S)-2-(prop-1-en-2-ylamino)propan-1-ol is C=C(C)N[C@@H](C)CO.
What is the InChIKey of (2S)-2-(prop-1-en-2-ylamino)propan-1-ol?
The InChIKey is RCOWOEAPMWITFN-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO/c1-5(2)7-6(3)4-8/h6-8H,1,4H2,2-3H3/t6-/m0/s1.
What are the key properties of (2S)-2-(prop-1-en-2-ylamino)propan-1-ol?
(2S)-2-(prop-1-en-2-ylamino)propan-1-ol has a molecular weight of 115.18 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(prop-1-en-2-ylamino)propan-1-ol is sourced from PubChem (CID 89412006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).