2-N,2-N-dimethyl-1-N-(4-methyl-1-prop-2-enylimidazol-2-yl)propane-1,2-diamine

C12H22N4 — CID 106566233

IUPAC2-N,2-N-dimethyl-1-N-(4-methyl-1-prop-2-enylimidazol-2-yl)propane-1,2-diamine
SMILESC=CCn1cc(C)nc1NCC(C)N(C)C
InChIInChI=1S/C12H22N4/c1-6-7-16-9-10(2)14-12(16)13-8-11(3)15(4)5/h6,9,11H,1,7-8H2,2-5H3,(H,13,14)
InChIKeySSZAKPCFRCGBQW-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.74
Rot. Bonds6

About 2-N,2-N-dimethyl-1-N-(4-methyl-1-prop-2-enylimidazol-2-yl)propane-1,2-diamine

2-N,2-N-dimethyl-1-N-(4-methyl-1-prop-2-enylimidazol-2-yl)propane-1,2-diamine (PubChem CID 106566233) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-(4-methyl-1-prop-2-enylimidazol-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-(4-methyl-1-prop-2-enylimidazol-2-yl)propane-1,2-diamine
PubChem CID106566233
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-N,2-N-dimethyl-1-N-(4-methyl-1-prop-2-enylimidazol-2-yl)propane-1,2-diamine
SMILESC=CCn1cc(C)nc1NCC(C)N(C)C
InChIInChI=1S/C12H22N4/c1-6-7-16-9-10(2)14-12(16)13-8-11(3)15(4)5/h6,9,11H,1,7-8H2,2-5H3,(H,13,14)
InChIKeySSZAKPCFRCGBQW-UHFFFAOYSA-N
XLogP1.74
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-N'-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine
CID 106570425
4-methyl-N-(2-methylbutan-2-yl)-1-prop-2-enylimidazol-2-amine
CID 106554780
4-methyl-1-prop-2-enyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine
CID 106576478
1-ethyl-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106554987
1-ethyl-N-(2-methoxypropyl)-4-methylimidazol-2-amine
CID 106583458
4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-prop-2-enylimidazol-2-amine
CID 106569972
4-methyl-1-prop-2-enyl-N-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine
CID 106567600
4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-prop-2-enylimidazol-2-amine
CID 106567076
4-methyl-1-prop-2-enyl-N-(1H-pyrazol-4-ylmethyl)imidazol-2-amine
CID 106568790
N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106575425
4-methyl-N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine
CID 106571379
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106579897

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-(4-methyl-1-prop-2-enylimidazol-2-yl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-(4-methyl-1-prop-2-enylimidazol-2-yl)propane-1,2-diamine (CID 106566233) is 2-N,2-N-dimethyl-1-N-(4-methyl-1-prop-2-enylimidazol-2-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-(4-methyl-1-prop-2-enylimidazol-2-yl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-(4-methyl-1-prop-2-enylimidazol-2-yl)propane-1,2-diamine is C=CCn1cc(C)nc1NCC(C)N(C)C.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-(4-methyl-1-prop-2-enylimidazol-2-yl)propane-1,2-diamine?
The InChIKey is SSZAKPCFRCGBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-6-7-16-9-10(2)14-12(16)13-8-11(3)15(4)5/h6,9,11H,1,7-8H2,2-5H3,(H,13,14).
What are the key properties of 2-N,2-N-dimethyl-1-N-(4-methyl-1-prop-2-enylimidazol-2-yl)propane-1,2-diamine?
2-N,2-N-dimethyl-1-N-(4-methyl-1-prop-2-enylimidazol-2-yl)propane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-(4-methyl-1-prop-2-enylimidazol-2-yl)propane-1,2-diamine is sourced from PubChem (CID 106566233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).