2-methyl-3-(prop-2-enylamino)propan-1-ol

C7H15NO — CID 65036515

IUPAC2-methyl-3-(prop-2-enylamino)propan-1-ol
SMILESC=CCNCC(C)CO
InChIInChI=1S/C7H15NO/c1-3-4-8-5-7(2)6-9/h3,7-9H,1,4-6H2,2H3
InChIKeyAKPVUBVHDICATP-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.39
Rot. Bonds5

About 2-methyl-3-(prop-2-enylamino)propan-1-ol

2-methyl-3-(prop-2-enylamino)propan-1-ol (PubChem CID 65036515) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-methyl-3-(prop-2-enylamino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(prop-2-enylamino)propan-1-ol
PubChem CID65036515
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-methyl-3-(prop-2-enylamino)propan-1-ol
SMILESC=CCNCC(C)CO
InChIInChI=1S/C7H15NO/c1-3-4-8-5-7(2)6-9/h3,7-9H,1,4-6H2,2H3
InChIKeyAKPVUBVHDICATP-UHFFFAOYSA-N
XLogP0.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.39
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'}

Analyze 2-methyl-3-(prop-2-enylamino)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(E)-3-chloroprop-2-enyl]amino]-2-methylpropan-1-ol
CID 107900002
ethane;3-(prop-2-enylamino)propane-1,2-diol;prop-1-yne
CID 142202246
3-[[2-hydroxy-3-[(3-hydroxy-2-methylpropyl)amino]propyl]amino]-2-methylpropan-1-ol
CID 88540594
2,3-dimethyl-N-prop-2-enylpentan-1-amine
CID 10057996
5-(hept-6-enylamino)-2-methylpentan-1-ol
CID 106160063
(2S)-3-[(3-hydroxy-2-methylpropyl)amino]propane-1,2-diol
CID 65036137
1-amino-2-(prop-2-enylamino)ethanol
CID 174652566
2-propan-2-ylsulfanyl-N-prop-2-enylpropan-1-amine
CID 62579087
2-N,2-N-diethyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62557121
methanol;(2S)-2-methylpent-4-en-1-ol
CID 143099829
2-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine
CID 107440897
(3S)-3-methyl-1-N-prop-2-enylpent-4-ene-1,2-diamine
CID 155145394

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(prop-2-enylamino)propan-1-ol?
The IUPAC name of 2-methyl-3-(prop-2-enylamino)propan-1-ol (CID 65036515) is 2-methyl-3-(prop-2-enylamino)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(prop-2-enylamino)propan-1-ol?
The canonical SMILES for 2-methyl-3-(prop-2-enylamino)propan-1-ol is C=CCNCC(C)CO.
What is the InChIKey of 2-methyl-3-(prop-2-enylamino)propan-1-ol?
The InChIKey is AKPVUBVHDICATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-4-8-5-7(2)6-9/h3,7-9H,1,4-6H2,2H3.
What are the key properties of 2-methyl-3-(prop-2-enylamino)propan-1-ol?
2-methyl-3-(prop-2-enylamino)propan-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(prop-2-enylamino)propan-1-ol is sourced from PubChem (CID 65036515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).