1-N-[1-(dimethylamino)prop-2-enyl]-1-N',1-N'-dimethylprop-2-ene-1,1-diamine

C10H21N3 — CID 87691306

IUPAC1-N-[1-(dimethylamino)prop-2-enyl]-1-N',1-N'-dimethylprop-2-ene-1,1-diamine
SMILESC=CC(NC(C=C)N(C)C)N(C)C
InChIInChI=1S/C10H21N3/c1-7-9(12(3)4)11-10(8-2)13(5)6/h7-11H,1-2H2,3-6H3
InChIKeyBXKRONNKGUPRIZ-UHFFFAOYSA-N
MW183.30 g/mol
LogP0.72
Rot. Bonds6

About 1-N-[1-(dimethylamino)prop-2-enyl]-1-N',1-N'-dimethylprop-2-ene-1,1-diamine

1-N-[1-(dimethylamino)prop-2-enyl]-1-N',1-N'-dimethylprop-2-ene-1,1-diamine (PubChem CID 87691306) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-N-[1-(dimethylamino)prop-2-enyl]-1-N',1-N'-dimethylprop-2-ene-1,1-diamine.

Molecular Properties

Compound Name1-N-[1-(dimethylamino)prop-2-enyl]-1-N',1-N'-dimethylprop-2-ene-1,1-diamine
PubChem CID87691306
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name1-N-[1-(dimethylamino)prop-2-enyl]-1-N',1-N'-dimethylprop-2-ene-1,1-diamine
SMILESC=CC(NC(C=C)N(C)C)N(C)C
InChIInChI=1S/C10H21N3/c1-7-9(12(3)4)11-10(8-2)13(5)6/h7-11H,1-2H2,3-6H3
InChIKeyBXKRONNKGUPRIZ-UHFFFAOYSA-N
XLogP0.72
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 50.72
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(dimethylamino)prop-2-enyl]-1-N',1-N'-dimethylprop-2-ene-1,1-diamine?
The IUPAC name of 1-N-[1-(dimethylamino)prop-2-enyl]-1-N',1-N'-dimethylprop-2-ene-1,1-diamine (CID 87691306) is 1-N-[1-(dimethylamino)prop-2-enyl]-1-N',1-N'-dimethylprop-2-ene-1,1-diamine.
What is the SMILES notation for 1-N-[1-(dimethylamino)prop-2-enyl]-1-N',1-N'-dimethylprop-2-ene-1,1-diamine?
The canonical SMILES for 1-N-[1-(dimethylamino)prop-2-enyl]-1-N',1-N'-dimethylprop-2-ene-1,1-diamine is C=CC(NC(C=C)N(C)C)N(C)C.
What is the InChIKey of 1-N-[1-(dimethylamino)prop-2-enyl]-1-N',1-N'-dimethylprop-2-ene-1,1-diamine?
The InChIKey is BXKRONNKGUPRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-7-9(12(3)4)11-10(8-2)13(5)6/h7-11H,1-2H2,3-6H3.
What are the key properties of 1-N-[1-(dimethylamino)prop-2-enyl]-1-N',1-N'-dimethylprop-2-ene-1,1-diamine?
1-N-[1-(dimethylamino)prop-2-enyl]-1-N',1-N'-dimethylprop-2-ene-1,1-diamine has a molecular weight of 183.30 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(dimethylamino)prop-2-enyl]-1-N',1-N'-dimethylprop-2-ene-1,1-diamine is sourced from PubChem (CID 87691306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).