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

C9H20N2O — CID 88688000

IUPAC1-(dimethylamino)-1-[methyl(prop-2-enyl)amino]propan-2-ol
SMILESC=CCN(C)C(C(C)O)N(C)C
InChIInChI=1S/C9H20N2O/c1-6-7-11(5)9(8(2)12)10(3)4/h6,8-9,12H,1,7H2,2-5H3
InChIKeyRPLIMFWIUQEFOJ-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.37
Rot. Bonds5

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

1-(dimethylamino)-1-[methyl(prop-2-enyl)amino]propan-2-ol (PubChem CID 88688000) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(dimethylamino)-1-[methyl(prop-2-enyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-1-[methyl(prop-2-enyl)amino]propan-2-ol
PubChem CID88688000
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-(dimethylamino)-1-[methyl(prop-2-enyl)amino]propan-2-ol
SMILESC=CCN(C)C(C(C)O)N(C)C
InChIInChI=1S/C9H20N2O/c1-6-7-11(5)9(8(2)12)10(3)4/h6,8-9,12H,1,7H2,2-5H3
InChIKeyRPLIMFWIUQEFOJ-UHFFFAOYSA-N
XLogP0.37
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(dimethylamino)-1-[methyl(prop-2-enyl)amino]propan-2-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

1,1'-(2-Propen-1-ylimino)bis[2-propanol]
CID 23423740
1,3-Bis(di-2-propen-1-ylamino)-2-propanol
CID 11107777
1,1-Bis[bis(prop-2-enyl)amino]propan-2-ol
CID 22414089
1-[Bis(prop-2-enyl)amino]propan-2-ol
CID 22461492
1-[Ethyl(methyl)amino]-1-[ethyl(prop-2-enyl)amino]propan-2-ol
CID 23520467
1-(3-prop-2-enyl-2H-imidazol-1-yl)propan-2-ol
CID 69778363
Bis(2-hydroxypropyl)-bis(prop-2-enyl)azanium
CID 87400730
1-[1-[Bis(2-hydroxypropyl)amino]prop-2-enyl-(2-hydroxypropyl)amino]propan-2-ol
CID 87774760
1,3-Bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol
CID 87785629
1,1-Bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol
CID 87802517
[1-(Dimethylamino)-2,3-dihydroxypropyl]-bis(2-hydroxyethyl)-prop-2-enylazanium
CID 87835528
1-[1-[Bis(prop-2-enyl)amino]propyl-methylamino]prop-2-en-1-ol
CID 87843665

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-1-[methyl(prop-2-enyl)amino]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-1-[methyl(prop-2-enyl)amino]propan-2-ol (CID 88688000) is 1-(dimethylamino)-1-[methyl(prop-2-enyl)amino]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-1-[methyl(prop-2-enyl)amino]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-1-[methyl(prop-2-enyl)amino]propan-2-ol is C=CCN(C)C(C(C)O)N(C)C.
What is the InChIKey of 1-(dimethylamino)-1-[methyl(prop-2-enyl)amino]propan-2-ol?
The InChIKey is RPLIMFWIUQEFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-6-7-11(5)9(8(2)12)10(3)4/h6,8-9,12H,1,7H2,2-5H3.
What are the key properties of 1-(dimethylamino)-1-[methyl(prop-2-enyl)amino]propan-2-ol?
1-(dimethylamino)-1-[methyl(prop-2-enyl)amino]propan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-1-[methyl(prop-2-enyl)amino]propan-2-ol is sourced from PubChem (CID 88688000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).