N'-ethyl-N'-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine

C12H22N4 — CID 106570425

IUPACN'-ethyl-N'-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine
SMILESC=CCn1cc(C)nc1NCCN(C)CC
InChIInChI=1S/C12H22N4/c1-5-8-16-10-11(3)14-12(16)13-7-9-15(4)6-2/h5,10H,1,6-9H2,2-4H3,(H,13,14)
InChIKeyLWWPAPVIZLJJKG-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.74
Rot. Bonds7

About N'-ethyl-N'-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine

N'-ethyl-N'-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine (PubChem CID 106570425) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N'-ethyl-N'-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine
PubChem CID106570425
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN'-ethyl-N'-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine
SMILESC=CCn1cc(C)nc1NCCN(C)CC
InChIInChI=1S/C12H22N4/c1-5-8-16-10-11(3)14-12(16)13-7-9-15(4)6-2/h5,10H,1,6-9H2,2-4H3,(H,13,14)
InChIKeyLWWPAPVIZLJJKG-UHFFFAOYSA-N
XLogP1.74
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

2-N,2-N-dimethyl-1-N-(4-methyl-1-prop-2-enylimidazol-2-yl)propane-1,2-diamine
CID 106566233
4-methyl-N-(2-methylbutan-2-yl)-1-prop-2-enylimidazol-2-amine
CID 106554780
N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 106570399
N-(2-imidazol-1-ylethyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106569292
4-methyl-1-prop-2-enyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine
CID 106576478
4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-prop-2-enylimidazol-2-amine
CID 106569972
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
1-[4-(dimethylamino)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106565561
2-ethyl-4-methyl-1-prop-2-enylimidazole
CID 19066610

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine (CID 106570425) is N'-ethyl-N'-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine is C=CCn1cc(C)nc1NCCN(C)CC.
What is the InChIKey of N'-ethyl-N'-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine?
The InChIKey is LWWPAPVIZLJJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-5-8-16-10-11(3)14-12(16)13-7-9-15(4)6-2/h5,10H,1,6-9H2,2-4H3,(H,13,14).
What are the key properties of N'-ethyl-N'-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine?
N'-ethyl-N'-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 106570425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).