1-methyl-N-[(1-phenylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine

C14H19N3 — CID 120969379

IUPAC1-methyl-N-[(1-phenylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCC1(c2ccccc2)CC1
InChIInChI=1S/C14H19N3/c1-17-10-9-15-13(17)16-11-14(7-8-14)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,15,16)
InChIKeyAKTJTSQQNWEZCW-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.61
Rot. Bonds3

About 1-methyl-N-[(1-phenylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine

1-methyl-N-[(1-phenylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine (PubChem CID 120969379) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-methyl-N-[(1-phenylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[(1-phenylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine
PubChem CID120969379
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-methyl-N-[(1-phenylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCC1(c2ccccc2)CC1
InChIInChI=1S/C14H19N3/c1-17-10-9-15-13(17)16-11-14(7-8-14)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,15,16)
InChIKeyAKTJTSQQNWEZCW-UHFFFAOYSA-N
XLogP1.61
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-phenylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-methyl-N-[(1-phenylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine (CID 120969379) is 1-methyl-N-[(1-phenylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[(1-phenylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-methyl-N-[(1-phenylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine is CN1CCN=C1NCC1(c2ccccc2)CC1.
What is the InChIKey of 1-methyl-N-[(1-phenylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is AKTJTSQQNWEZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-17-10-9-15-13(17)16-11-14(7-8-14)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,15,16).
What are the key properties of 1-methyl-N-[(1-phenylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine?
1-methyl-N-[(1-phenylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 229.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-phenylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120969379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).