1-[methyl(prop-1-en-2-yl)amino]propan-1-ol

C7H15NO — CID 143693701

IUPAC1-[methyl(prop-1-en-2-yl)amino]propan-1-ol
SMILESC=C(C)N(C)C(O)CC
InChIInChI=1S/C7H15NO/c1-5-7(9)8(4)6(2)3/h7,9H,2,5H2,1,3-4H3
InChIKeyZECUWOGXIQEOKM-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.18
Rot. Bonds3

About 1-[methyl(prop-1-en-2-yl)amino]propan-1-ol

1-[methyl(prop-1-en-2-yl)amino]propan-1-ol (PubChem CID 143693701) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-[methyl(prop-1-en-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name1-[methyl(prop-1-en-2-yl)amino]propan-1-ol
PubChem CID143693701
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-[methyl(prop-1-en-2-yl)amino]propan-1-ol
SMILESC=C(C)N(C)C(O)CC
InChIInChI=1S/C7H15NO/c1-5-7(9)8(4)6(2)3/h7,9H,2,5H2,1,3-4H3
InChIKeyZECUWOGXIQEOKM-UHFFFAOYSA-N
XLogP1.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
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-[2-Hydroxyethyl(prop-1-en-2-yl)amino]ethanol
CID 45088074
2-[But-1-en-2-yl(methyl)amino]ethanol
CID 58166114
3-[3-Hydroxypropyl(prop-1-en-2-yl)amino]propan-1-ol
CID 88991967
2-[Ethyl(prop-1-en-2-yl)amino]ethanol
CID 118426590
1-[Prop-1-en-2-yl(propyl)amino]ethanol
CID 123217766
2-[Methyl(prop-1-en-2-yl)amino]ethanol
CID 123488296
2-[[(E)-but-2-en-2-yl]-methylamino]ethanol
CID 130193982
2-[Methyl(propyl)amino]but-1-en-1-ol
CID 142860030
2-[Methyl(prop-1-en-2-yl)amino]ethanol;hydrate
CID 143127607
3-[Ethyl(prop-1-en-2-yl)amino]propan-1-ol
CID 143512276
Ethane;3-[3-hydroxypropyl(prop-1-en-2-yl)amino]propan-1-ol
CID 144452899
2-(Diethylamino)prop-2-en-1-ol
CID 144460474

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(prop-1-en-2-yl)amino]propan-1-ol?
The IUPAC name of 1-[methyl(prop-1-en-2-yl)amino]propan-1-ol (CID 143693701) is 1-[methyl(prop-1-en-2-yl)amino]propan-1-ol.
What is the SMILES notation for 1-[methyl(prop-1-en-2-yl)amino]propan-1-ol?
The canonical SMILES for 1-[methyl(prop-1-en-2-yl)amino]propan-1-ol is C=C(C)N(C)C(O)CC.
What is the InChIKey of 1-[methyl(prop-1-en-2-yl)amino]propan-1-ol?
The InChIKey is ZECUWOGXIQEOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-5-7(9)8(4)6(2)3/h7,9H,2,5H2,1,3-4H3.
What are the key properties of 1-[methyl(prop-1-en-2-yl)amino]propan-1-ol?
1-[methyl(prop-1-en-2-yl)amino]propan-1-ol has a molecular weight of 129.20 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(prop-1-en-2-yl)amino]propan-1-ol is sourced from PubChem (CID 143693701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).