1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide

C12H23IN4 — CID 120972134

IUPAC1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCC1=CCN(CCNC2=NCCN2C)CC1.I
InChIInChI=1S/C12H22N4.HI/c1-11-3-7-16(8-4-11)10-6-14-12-13-5-9-15(12)2;/h3H,4-10H2,1-2H3,(H,13,14);1H
InChIKeyRZNPVVBMZYLXDL-UHFFFAOYSA-N
MW350.25 g/mol
LogP1.15
Rot. Bonds3

About 1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide

1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120972134) has the molecular formula C12H23IN4 and a molecular weight of 350.25 g/mol. Its IUPAC name is 1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound Name1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120972134
Molecular FormulaC12H23IN4
Molecular Weight350.25 g/mol
Exact Mass350.10
IUPAC Name1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCC1=CCN(CCNC2=NCCN2C)CC1.I
InChIInChI=1S/C12H22N4.HI/c1-11-3-7-16(8-4-11)10-6-14-12-13-5-9-15(12)2;/h3H,4-10H2,1-2H3,(H,13,14);1H
InChIKeyRZNPVVBMZYLXDL-UHFFFAOYSA-N
XLogP1.15
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of 1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120972134) is 1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for 1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for 1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide is CC1=CCN(CCNC2=NCCN2C)CC1.I.
What is the InChIKey of 1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is RZNPVVBMZYLXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4.HI/c1-11-3-7-16(8-4-11)10-6-14-12-13-5-9-15(12)2;/h3H,4-10H2,1-2H3,(H,13,14);1H.
What are the key properties of 1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 350.25 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120972134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).