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

C11H21IN4 — CID 120972002

IUPAC1-methyl-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CC=C(CNC2=NCCN2C)CC1.I
InChIInChI=1S/C11H20N4.HI/c1-14-6-3-10(4-7-14)9-13-11-12-5-8-15(11)2;/h3H,4-9H2,1-2H3,(H,12,13);1H
InChIKeyHHJJSNCTPDQYSV-UHFFFAOYSA-N
MW336.22 g/mol
LogP0.76
Rot. Bonds2

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

1-methyl-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120972002) has the molecular formula C11H21IN4 and a molecular weight of 336.22 g/mol. Its IUPAC name is 1-methyl-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound Name1-methyl-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120972002
Molecular FormulaC11H21IN4
Molecular Weight336.22 g/mol
Exact Mass336.08
IUPAC Name1-methyl-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CC=C(CNC2=NCCN2C)CC1.I
InChIInChI=1S/C11H20N4.HI/c1-14-6-3-10(4-7-14)9-13-11-12-5-8-15(11)2;/h3H,4-9H2,1-2H3,(H,12,13);1H
InChIKeyHHJJSNCTPDQYSV-UHFFFAOYSA-N
XLogP0.76
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 50.76
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-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of 1-methyl-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120972002) is 1-methyl-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for 1-methyl-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for 1-methyl-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide is CN1CC=C(CNC2=NCCN2C)CC1.I.
What is the InChIKey of 1-methyl-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is HHJJSNCTPDQYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4.HI/c1-14-6-3-10(4-7-14)9-13-11-12-5-8-15(11)2;/h3H,4-9H2,1-2H3,(H,12,13);1H.
What are the key properties of 1-methyl-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
1-methyl-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 336.22 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120972002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).