2-methyl-1-(prop-2-enylamino)propan-2-ol

C7H15NO — CID 39235006

IUPAC2-methyl-1-(prop-2-enylamino)propan-2-ol
SMILESC=CCNCC(C)(C)O
InChIInChI=1S/C7H15NO/c1-4-5-8-6-7(2,3)9/h4,8-9H,1,5-6H2,2-3H3
InChIKeyLLTCGYSAJMFIGW-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.53
Rot. Bonds4

About 2-methyl-1-(prop-2-enylamino)propan-2-ol

2-methyl-1-(prop-2-enylamino)propan-2-ol (PubChem CID 39235006) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-methyl-1-(prop-2-enylamino)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(prop-2-enylamino)propan-2-ol
PubChem CID39235006
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-methyl-1-(prop-2-enylamino)propan-2-ol
SMILESC=CCNCC(C)(C)O
InChIInChI=1S/C7H15NO/c1-4-5-8-6-7(2,3)9/h4,8-9H,1,5-6H2,2-3H3
InChIKeyLLTCGYSAJMFIGW-UHFFFAOYSA-N
XLogP0.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Propanol, 1-(2-propenylamino)-
CID 10464329
3-(Ethylamino)prop-1-en-2-ol
CID 87786158
3-(Prop-2-enylamino)prop-1-en-2-ol
CID 88629766
3-(2-Methylpropylamino)prop-1-en-2-ol
CID 88868794
1-(Buta-1,3-dien-2-ylamino)-2-methylpropan-2-ol
CID 167493116
3-(Tert-butylamino)prop-1-en-2-ol
CID 170290410
3-(Prop-2-enylamino)prop-1-en-2-ol;hydrochloride
CID 173396788
(2R)-1-(prop-2-enylamino)propan-2-ol
CID 39234975
1-(Ethylamino)-2-methylbut-3-en-2-ol
CID 55287439
2-Methyl-1-(2-methylprop-2-enylamino)propan-2-ol
CID 65106753
1-(But-3-enylamino)-2-methylpropan-2-ol
CID 65107510
2-Methyl-1-(prop-2-enylamino)butan-2-ol
CID 65111136

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(prop-2-enylamino)propan-2-ol?
The IUPAC name of 2-methyl-1-(prop-2-enylamino)propan-2-ol (CID 39235006) is 2-methyl-1-(prop-2-enylamino)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(prop-2-enylamino)propan-2-ol?
The canonical SMILES for 2-methyl-1-(prop-2-enylamino)propan-2-ol is C=CCNCC(C)(C)O.
What is the InChIKey of 2-methyl-1-(prop-2-enylamino)propan-2-ol?
The InChIKey is LLTCGYSAJMFIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-5-8-6-7(2,3)9/h4,8-9H,1,5-6H2,2-3H3.
What are the key properties of 2-methyl-1-(prop-2-enylamino)propan-2-ol?
2-methyl-1-(prop-2-enylamino)propan-2-ol has a molecular weight of 129.20 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(prop-2-enylamino)propan-2-ol is sourced from PubChem (CID 39235006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).