5,5-dimethyl-N-(pyridin-3-ylmethyl)-1,4-dihydroimidazol-2-amine;hydroiodide

C11H17IN4 — CID 117068680

IUPAC5,5-dimethyl-N-(pyridin-3-ylmethyl)-1,4-dihydroimidazol-2-amine;hydroiodide
SMILESCC1(C)CN=C(NCc2cccnc2)N1.I
InChIInChI=1S/C11H16N4.HI/c1-11(2)8-14-10(15-11)13-7-9-4-3-5-12-6-9;/h3-6H,7-8H2,1-2H3,(H2,13,14,15);1H
InChIKeyITOYJLROZGEHBV-UHFFFAOYSA-N
MW332.19 g/mol
LogP1.53
Rot. Bonds2

About 5,5-dimethyl-N-(pyridin-3-ylmethyl)-1,4-dihydroimidazol-2-amine;hydroiodide

5,5-dimethyl-N-(pyridin-3-ylmethyl)-1,4-dihydroimidazol-2-amine;hydroiodide (PubChem CID 117068680) has the molecular formula C11H17IN4 and a molecular weight of 332.19 g/mol. Its IUPAC name is 5,5-dimethyl-N-(pyridin-3-ylmethyl)-1,4-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound Name5,5-dimethyl-N-(pyridin-3-ylmethyl)-1,4-dihydroimidazol-2-amine;hydroiodide
PubChem CID117068680
Molecular FormulaC11H17IN4
Molecular Weight332.19 g/mol
Exact Mass332.05
IUPAC Name5,5-dimethyl-N-(pyridin-3-ylmethyl)-1,4-dihydroimidazol-2-amine;hydroiodide
SMILESCC1(C)CN=C(NCc2cccnc2)N1.I
InChIInChI=1S/C11H16N4.HI/c1-11(2)8-14-10(15-11)13-7-9-4-3-5-12-6-9;/h3-6H,7-8H2,1-2H3,(H2,13,14,15);1H
InChIKeyITOYJLROZGEHBV-UHFFFAOYSA-N
XLogP1.53
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
3-methyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
CID 107424178
5,5-dimethyl-3-(pyridin-3-ylmethylamino)cyclohex-2-en-1-one
CID 2837108
N-methyl-1-pyridin-3-ylmethanamine;hydrochloride
CID 17290665
9-methyl-N-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
CID 45379468
N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylmethanamine
CID 63822892
5-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 91367396
2-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 75356077
N-iodo-1-pyridin-3-ylmethanamine
CID 89297492
2,6-dichloro-N-(pyridin-3-ylmethyl)aniline
CID 913968
5-bromo-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 63873980
5,6-dimethyl-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine
CID 114383128

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-(pyridin-3-ylmethyl)-1,4-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of 5,5-dimethyl-N-(pyridin-3-ylmethyl)-1,4-dihydroimidazol-2-amine;hydroiodide (CID 117068680) is 5,5-dimethyl-N-(pyridin-3-ylmethyl)-1,4-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for 5,5-dimethyl-N-(pyridin-3-ylmethyl)-1,4-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for 5,5-dimethyl-N-(pyridin-3-ylmethyl)-1,4-dihydroimidazol-2-amine;hydroiodide is CC1(C)CN=C(NCc2cccnc2)N1.I.
What is the InChIKey of 5,5-dimethyl-N-(pyridin-3-ylmethyl)-1,4-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is ITOYJLROZGEHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4.HI/c1-11(2)8-14-10(15-11)13-7-9-4-3-5-12-6-9;/h3-6H,7-8H2,1-2H3,(H2,13,14,15);1H.
What are the key properties of 5,5-dimethyl-N-(pyridin-3-ylmethyl)-1,4-dihydroimidazol-2-amine;hydroiodide?
5,5-dimethyl-N-(pyridin-3-ylmethyl)-1,4-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 332.19 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-(pyridin-3-ylmethyl)-1,4-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 117068680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).