1-[1-(dimethylamino)prop-1-enyl-methylamino]propan-2-ol

C9H20N2O — CID 173039695

IUPAC1-[1-(dimethylamino)prop-1-enyl-methylamino]propan-2-ol
SMILESCC=C(N(C)C)N(C)CC(C)O
InChIInChI=1S/C9H20N2O/c1-6-9(10(3)4)11(5)7-8(2)12/h6,8,12H,7H2,1-5H3
InChIKeyCHTYSHYPYHPIRX-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.72
Rot. Bonds4

About 1-[1-(dimethylamino)prop-1-enyl-methylamino]propan-2-ol

1-[1-(dimethylamino)prop-1-enyl-methylamino]propan-2-ol (PubChem CID 173039695) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-[1-(dimethylamino)prop-1-enyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[1-(dimethylamino)prop-1-enyl-methylamino]propan-2-ol
PubChem CID173039695
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-[1-(dimethylamino)prop-1-enyl-methylamino]propan-2-ol
SMILESCC=C(N(C)C)N(C)CC(C)O
InChIInChI=1S/C9H20N2O/c1-6-9(10(3)4)11(5)7-8(2)12/h6,8,12H,7H2,1-5H3
InChIKeyCHTYSHYPYHPIRX-UHFFFAOYSA-N
XLogP0.72
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[Bis(2-hydroxypropyl)amino]ethenyl-(2-hydroxypropyl)amino]propan-2-ol
CID 22014460
1,1-Bis[bis(prop-2-enyl)amino]propan-2-ol
CID 22414089
1-[Ethyl(methyl)amino]-1-[ethyl(prop-2-enyl)amino]propan-2-ol
CID 23520467
1-(3-methyl-2H-imidazol-1-yl)butan-2-ol
CID 67438474
1-(2,3-dimethyl-2H-imidazol-1-yl)propan-2-ol
CID 69235069
1-[3-(2-hydroxypropyl)-2H-imidazol-1-yl]propan-2-ol
CID 69236129
1-(3-butyl-2H-imidazol-1-yl)propan-2-ol
CID 69731321
1-(3-prop-2-enyl-2H-imidazol-1-yl)propan-2-ol
CID 69778363
2-[1-[Bis(2-hydroxyethyl)amino]prop-1-enyl-(2-hydroxyethyl)amino]ethanol
CID 87556561
1-[1-[Bis(2-hydroxypropyl)amino]prop-1-enyl-(2-hydroxypropyl)amino]propan-2-ol
CID 87655510
1,1-Bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol
CID 87802517
1-[Ethenyl-[[ethenyl(2-hydroxybutyl)amino]methyl]amino]butan-2-ol
CID 88441002

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)prop-1-enyl-methylamino]propan-2-ol?
The IUPAC name of 1-[1-(dimethylamino)prop-1-enyl-methylamino]propan-2-ol (CID 173039695) is 1-[1-(dimethylamino)prop-1-enyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[1-(dimethylamino)prop-1-enyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[1-(dimethylamino)prop-1-enyl-methylamino]propan-2-ol is CC=C(N(C)C)N(C)CC(C)O.
What is the InChIKey of 1-[1-(dimethylamino)prop-1-enyl-methylamino]propan-2-ol?
The InChIKey is CHTYSHYPYHPIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-6-9(10(3)4)11(5)7-8(2)12/h6,8,12H,7H2,1-5H3.
What are the key properties of 1-[1-(dimethylamino)prop-1-enyl-methylamino]propan-2-ol?
1-[1-(dimethylamino)prop-1-enyl-methylamino]propan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)prop-1-enyl-methylamino]propan-2-ol is sourced from PubChem (CID 173039695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).