N-(2-methylprop-2-enyl)-4,5-dihydro-1H-imidazol-2-amine

C7H13N3 — CID 114616713

IUPACN-(2-methylprop-2-enyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESC=C(C)CNC1=NCCN1
InChIInChI=1S/C7H13N3/c1-6(2)5-10-7-8-3-4-9-7/h1,3-5H2,2H3,(H2,8,9,10)
InChIKeyKONAJXOMPLCIJC-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.11
Rot. Bonds2

About N-(2-methylprop-2-enyl)-4,5-dihydro-1H-imidazol-2-amine

N-(2-methylprop-2-enyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 114616713) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID114616713
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN-(2-methylprop-2-enyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESC=C(C)CNC1=NCCN1
InChIInChI=1S/C7H13N3/c1-6(2)5-10-7-8-3-4-9-7/h1,3-5H2,2H3,(H2,8,9,10)
InChIKeyKONAJXOMPLCIJC-UHFFFAOYSA-N
XLogP0.11
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbut-2-enyl)-4,5-dihydro-1H-imidazol-2-amine
CID 426167
N-(3-methylbut-2-enyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 24195406
N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
CID 12024894
1-(2-Methylprop-2-enyl)-4,5-dihydroimidazol-2-amine
CID 57221248
N-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazol-2-amine
CID 60052224
N-but-2-enyl-4,5-dihydro-1H-imidazol-2-amine
CID 72635091
1-Cyano-2-methyl-3-(2-methylprop-2-enyl)guanidine
CID 89887513
N-(2-methylidenebutyl)-4,5-dihydro-1H-imidazol-2-amine
CID 91169175
N-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazol-1-ium-2-amine
CID 142842804
1-methyl-N-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 45087809
1-[2-[Ethyl(propyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111600598
2-Methyl-1-(2-methylprop-2-enyl)guanidine
CID 115612294

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(2-methylprop-2-enyl)-4,5-dihydro-1H-imidazol-2-amine (CID 114616713) is N-(2-methylprop-2-enyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(2-methylprop-2-enyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(2-methylprop-2-enyl)-4,5-dihydro-1H-imidazol-2-amine is C=C(C)CNC1=NCCN1.
What is the InChIKey of N-(2-methylprop-2-enyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is KONAJXOMPLCIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-6(2)5-10-7-8-3-4-9-7/h1,3-5H2,2H3,(H2,8,9,10).
What are the key properties of N-(2-methylprop-2-enyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(2-methylprop-2-enyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 139.20 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 114616713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).