3-(azepan-1-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine

C17H32N4 — CID 91761698

IUPAC3-(azepan-1-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine
SMILESCC(C)n1ccnc1CN(C)CCCN1CCCCCC1
InChIInChI=1S/C17H32N4/c1-16(2)21-14-9-18-17(21)15-19(3)10-8-13-20-11-6-4-5-7-12-20/h9,14,16H,4-8,10-13,15H2,1-3H3
InChIKeyVHXILFTVTQGOHV-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.16
Rot. Bonds7

About 3-(azepan-1-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine

3-(azepan-1-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 91761698) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 3-(azepan-1-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(azepan-1-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine
PubChem CID91761698
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name3-(azepan-1-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine
SMILESCC(C)n1ccnc1CN(C)CCCN1CCCCCC1
InChIInChI=1S/C17H32N4/c1-16(2)21-14-9-18-17(21)15-19(3)10-8-13-20-11-6-4-5-7-12-20/h9,14,16H,4-8,10-13,15H2,1-3H3
InChIKeyVHXILFTVTQGOHV-UHFFFAOYSA-N
XLogP3.16
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Hexadecyl-3-methylimidazolium Chloride
CID 2734231
1-Pentyl-1H-imidazole
CID 529334
1,3-Didecyl-2-methyl-1H-imidazolium chloride
CID 2775940
1-Dodecylimidazole
CID 78002
1-Dodecyl-3-methyl-1H-imidazol-3-ium Chloride
CID 2734227
1-Hexyl-3-methylimidazolium chloride
CID 2734163
1-Butyl-2,3-dimethylimidazolium chloride
CID 2734167
1-Hexyl-3-methylimidazolium Iodide
CID 12036651
1-nonyl-1H-imidazole
CID 193906
1H-Imidazole, 1-hexyl-
CID 3015660
1-Methyl-3-tetradecylimidazolium chloride
CID 2734229
Nsc-747269
CID 2734233

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-(azepan-1-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine (CID 91761698) is 3-(azepan-1-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(azepan-1-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(azepan-1-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine is CC(C)n1ccnc1CN(C)CCCN1CCCCCC1.
What is the InChIKey of 3-(azepan-1-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is VHXILFTVTQGOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-16(2)21-14-9-18-17(21)15-19(3)10-8-13-20-11-6-4-5-7-12-20/h9,14,16H,4-8,10-13,15H2,1-3H3.
What are the key properties of 3-(azepan-1-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine?
3-(azepan-1-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-N-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 91761698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).