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

C16H24IN3 — CID 120971974

IUPAC1-methyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCC1(C)CCCc2ccccc21.I
InChIInChI=1S/C16H23N3.HI/c1-16(12-18-15-17-10-11-19(15)2)9-5-7-13-6-3-4-8-14(13)16;/h3-4,6,8H,5,7,9-12H2,1-2H3,(H,17,18);1H
InChIKeyYOFFFIKGEGNTBB-UHFFFAOYSA-N
MW385.29 g/mol
LogP2.79
Rot. Bonds2

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

1-methyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120971974) has the molecular formula C16H24IN3 and a molecular weight of 385.29 g/mol. Its IUPAC name is 1-methyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound Name1-methyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120971974
Molecular FormulaC16H24IN3
Molecular Weight385.29 g/mol
Exact Mass385.10
IUPAC Name1-methyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCC1(C)CCCc2ccccc21.I
InChIInChI=1S/C16H23N3.HI/c1-16(12-18-15-17-10-11-19(15)2)9-5-7-13-6-3-4-8-14(13)16;/h3-4,6,8H,5,7,9-12H2,1-2H3,(H,17,18);1H
InChIKeyYOFFFIKGEGNTBB-UHFFFAOYSA-N
XLogP2.79
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of 1-methyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120971974) is 1-methyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for 1-methyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for 1-methyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide is CN1CCN=C1NCC1(C)CCCc2ccccc21.I.
What is the InChIKey of 1-methyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is YOFFFIKGEGNTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3.HI/c1-16(12-18-15-17-10-11-19(15)2)9-5-7-13-6-3-4-8-14(13)16;/h3-4,6,8H,5,7,9-12H2,1-2H3,(H,17,18);1H.
What are the key properties of 1-methyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
1-methyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 385.29 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120971974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).