2-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine

C15H28N4 — CID 46982644

IUPAC2-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCN(CCN1CCCCCC1)Cc1nccn1C
InChIInChI=1S/C15H28N4/c1-3-18(14-15-16-8-11-17(15)2)12-13-19-9-6-4-5-7-10-19/h8,11H,3-7,9-10,12-14H2,1-2H3
InChIKeyDBYKHMPOOXQSMK-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.12
Rot. Bonds6

About 2-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine

2-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine (PubChem CID 46982644) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
PubChem CID46982644
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCN(CCN1CCCCCC1)Cc1nccn1C
InChIInChI=1S/C15H28N4/c1-3-18(14-15-16-8-11-17(15)2)12-13-19-9-6-4-5-7-10-19/h8,11H,3-7,9-10,12-14H2,1-2H3
InChIKeyDBYKHMPOOXQSMK-UHFFFAOYSA-N
XLogP2.12
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Butylimidazole
CID 61347
1,2-Dimethylimidazole
CID 15617
1-Hexadecyl-3-methylimidazolium Chloride
CID 2734231
1-Decyl-3-methylimidazolium Bromide
CID 22078297
1-Methyl-3-octylimidazolium hexafluorophosphate
CID 2734243
1-Octyl-3-methylimidazolium chloride
CID 2734223
1-Pentyl-1H-imidazole
CID 529334
1-Butyl-3-methylimidazolium chloride
CID 2734161
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-Methyl-3-octylimidazolium tetrafluoroborate
CID 11460221

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine (CID 46982644) is 2-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine is CCN(CCN1CCCCCC1)Cc1nccn1C.
What is the InChIKey of 2-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The InChIKey is DBYKHMPOOXQSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-3-18(14-15-16-8-11-17(15)2)12-13-19-9-6-4-5-7-10-19/h8,11H,3-7,9-10,12-14H2,1-2H3.
What are the key properties of 2-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
2-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine has a molecular weight of 264.42 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 46982644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).