N,N,1-trimethyl-5-[(2-methylprop-2-enylamino)methyl]imidazol-2-amine

C11H20N4 — CID 114615401

IUPACN,N,1-trimethyl-5-[(2-methylprop-2-enylamino)methyl]imidazol-2-amine
SMILESC=C(C)CNCc1cnc(N(C)C)n1C
InChIInChI=1S/C11H20N4/c1-9(2)6-12-7-10-8-13-11(14(3)4)15(10)5/h8,12H,1,6-7H2,2-5H3
InChIKeyAGLYXTUGDGZQPX-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.15
Rot. Bonds5

About N,N,1-trimethyl-5-[(2-methylprop-2-enylamino)methyl]imidazol-2-amine

N,N,1-trimethyl-5-[(2-methylprop-2-enylamino)methyl]imidazol-2-amine (PubChem CID 114615401) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N,N,1-trimethyl-5-[(2-methylprop-2-enylamino)methyl]imidazol-2-amine.

Molecular Properties

Compound NameN,N,1-trimethyl-5-[(2-methylprop-2-enylamino)methyl]imidazol-2-amine
PubChem CID114615401
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN,N,1-trimethyl-5-[(2-methylprop-2-enylamino)methyl]imidazol-2-amine
SMILESC=C(C)CNCc1cnc(N(C)C)n1C
InChIInChI=1S/C11H20N4/c1-9(2)6-12-7-10-8-13-11(14(3)4)15(10)5/h8,12H,1,6-7H2,2-5H3
InChIKeyAGLYXTUGDGZQPX-UHFFFAOYSA-N
XLogP1.15
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.15
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

1,5-Dimethylimidazole
CID 139158
1,4-Dimethylimidazole
CID 138733
1-Methyl-5-aminomethylimidazole
CID 2795424
1,5-dimethyl-1H-imidazol-2-amine hydrochloride
CID 12348472
{5H,6H,7H,8H-imidazo[1,2-a]pyridin-2-ylmethyl}(methyl)amine
CID 82596909
(1-methyl-1H-imidazol-4-yl)methanamine
CID 2795114
methyl[(1-methyl-1H-imidazol-5-yl)methyl]amine
CID 7164555
1,2-Dimethyl-1H-imidazole-5-methanamine
CID 13062778
(1H-imidazol-4-ylmethyl)(methyl)amine
CID 20675588
5,6,7,8-Tetrahydroimidazo(1,5-a)pyrazine
CID 20825705
3-Methyl-5,6,7,8-tetrahydroimidazo(1,5-a)pyrazine
CID 20825880
N,1-Dimethyl-1H-imidazole-4-methanamine
CID 21366440

Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-5-[(2-methylprop-2-enylamino)methyl]imidazol-2-amine?
The IUPAC name of N,N,1-trimethyl-5-[(2-methylprop-2-enylamino)methyl]imidazol-2-amine (CID 114615401) is N,N,1-trimethyl-5-[(2-methylprop-2-enylamino)methyl]imidazol-2-amine.
What is the SMILES notation for N,N,1-trimethyl-5-[(2-methylprop-2-enylamino)methyl]imidazol-2-amine?
The canonical SMILES for N,N,1-trimethyl-5-[(2-methylprop-2-enylamino)methyl]imidazol-2-amine is C=C(C)CNCc1cnc(N(C)C)n1C.
What is the InChIKey of N,N,1-trimethyl-5-[(2-methylprop-2-enylamino)methyl]imidazol-2-amine?
The InChIKey is AGLYXTUGDGZQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-9(2)6-12-7-10-8-13-11(14(3)4)15(10)5/h8,12H,1,6-7H2,2-5H3.
What are the key properties of N,N,1-trimethyl-5-[(2-methylprop-2-enylamino)methyl]imidazol-2-amine?
N,N,1-trimethyl-5-[(2-methylprop-2-enylamino)methyl]imidazol-2-amine has a molecular weight of 208.31 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-5-[(2-methylprop-2-enylamino)methyl]imidazol-2-amine is sourced from PubChem (CID 114615401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).