1-methyl-N-prop-2-enyl-4,5-dihydroimidazol-2-amine

C7H13N3 — CID 45087809

IUPAC1-methyl-N-prop-2-enyl-4,5-dihydroimidazol-2-amine
SMILESC=CCNC1=NCCN1C
InChIInChI=1S/C7H13N3/c1-3-4-8-7-9-5-6-10(7)2/h3H,1,4-6H2,2H3,(H,8,9)
InChIKeyYPEDPLNPRAGGHM-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.06
Rot. Bonds2

About 1-methyl-N-prop-2-enyl-4,5-dihydroimidazol-2-amine

1-methyl-N-prop-2-enyl-4,5-dihydroimidazol-2-amine (PubChem CID 45087809) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-methyl-N-prop-2-enyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-prop-2-enyl-4,5-dihydroimidazol-2-amine
PubChem CID45087809
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1-methyl-N-prop-2-enyl-4,5-dihydroimidazol-2-amine
SMILESC=CCNC1=NCCN1C
InChIInChI=1S/C7H13N3/c1-3-4-8-7-9-5-6-10(7)2/h3H,1,4-6H2,2H3,(H,8,9)
InChIKeyYPEDPLNPRAGGHM-UHFFFAOYSA-N
XLogP0.06
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-methyl-N-prop-2-enyl-4,5-dihydroimidazol-2-amine (CID 45087809) is 1-methyl-N-prop-2-enyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-methyl-N-prop-2-enyl-4,5-dihydroimidazol-2-amine is C=CCNC1=NCCN1C.
What is the InChIKey of 1-methyl-N-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The InChIKey is YPEDPLNPRAGGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-4-8-7-9-5-6-10(7)2/h3H,1,4-6H2,2H3,(H,8,9).
What are the key properties of 1-methyl-N-prop-2-enyl-4,5-dihydroimidazol-2-amine?
1-methyl-N-prop-2-enyl-4,5-dihydroimidazol-2-amine has a molecular weight of 139.20 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-prop-2-enyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 45087809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).