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

C6H13NO — CID 163466273

IUPAC2-(prop-1-en-2-ylamino)propan-2-ol
SMILESC=C(C)NC(C)(C)O
InChIInChI=1S/C6H13NO/c1-5(2)7-6(3,4)8/h7-8H,1H2,2-4H3
InChIKeyBSWOAQLVAXCHBY-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.84
Rot. Bonds2

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

2-(prop-1-en-2-ylamino)propan-2-ol (PubChem CID 163466273) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-(prop-1-en-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-(prop-1-en-2-ylamino)propan-2-ol
PubChem CID163466273
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-(prop-1-en-2-ylamino)propan-2-ol
SMILESC=C(C)NC(C)(C)O
InChIInChI=1S/C6H13NO/c1-5(2)7-6(3,4)8/h7-8H,1H2,2-4H3
InChIKeyBSWOAQLVAXCHBY-UHFFFAOYSA-N
XLogP0.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-hydrazinyl-3-methylbut-3-en-2-ol
CID 3027769
2,2-dimethyl-N-prop-1-en-2-ylpropanamide
CID 89153386
2-methoxy-2-(prop-1-en-2-ylamino)propan-1-ol
CID 118136851
3,3-dimethyl-N-prop-1-en-2-ylbut-1-en-2-amine
CID 126510317
2-(3,3-dimethylbut-1-en-2-ylditellanyl)-3,3-dimethylbut-1-ene
CID 134896243
2-methylprop-2-ene-1,1,1-triol
CID 14026294
bis((3S,5R)-2,3,4,4,5,6-hexamethylhepta-1,6-diene-3,5-diol);(3R,5R)-2,3,4,4,5,6-hexamethylhepta-1,6-diene-3,5-diol;(3S,5S)-2,3,4,4,5,6-hexamethylhepta-1,6-diene-3,5-diol
CID 159752258
ethane;2-methyl-N-prop-1-en-2-ylsulfanylpropan-2-amine
CID 142516717
2-(chloroamino)propan-2-ol
CID 174333628
2-hydroxy-2,5-dimethylhex-5-en-3-one
CID 103847177
bis(2,3-dimethylbut-3-en-2-amine);dihydrochloride
CID 174877306
3-fluoro-2-methylbut-3-en-2-ol
CID 119096236

Frequently Asked Questions

What is the IUPAC name of 2-(prop-1-en-2-ylamino)propan-2-ol?
The IUPAC name of 2-(prop-1-en-2-ylamino)propan-2-ol (CID 163466273) is 2-(prop-1-en-2-ylamino)propan-2-ol.
What is the SMILES notation for 2-(prop-1-en-2-ylamino)propan-2-ol?
The canonical SMILES for 2-(prop-1-en-2-ylamino)propan-2-ol is C=C(C)NC(C)(C)O.
What is the InChIKey of 2-(prop-1-en-2-ylamino)propan-2-ol?
The InChIKey is BSWOAQLVAXCHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(2)7-6(3,4)8/h7-8H,1H2,2-4H3.
What are the key properties of 2-(prop-1-en-2-ylamino)propan-2-ol?
2-(prop-1-en-2-ylamino)propan-2-ol has a molecular weight of 115.18 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-1-en-2-ylamino)propan-2-ol is sourced from PubChem (CID 163466273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).