6-(2-ethylimidazol-1-yl)-N-methylhexan-3-amine

C12H23N3 — CID 106800331

IUPAC6-(2-ethylimidazol-1-yl)-N-methylhexan-3-amine
SMILESCCc1nccn1CCCC(CC)NC
InChIInChI=1S/C12H23N3/c1-4-11(13-3)7-6-9-15-10-8-14-12(15)5-2/h8,10-11,13H,4-7,9H2,1-3H3
InChIKeyGAZXAZLBPFDNSU-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.22
Rot. Bonds7

About 6-(2-ethylimidazol-1-yl)-N-methylhexan-3-amine

6-(2-ethylimidazol-1-yl)-N-methylhexan-3-amine (PubChem CID 106800331) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 6-(2-ethylimidazol-1-yl)-N-methylhexan-3-amine.

Molecular Properties

Compound Name6-(2-ethylimidazol-1-yl)-N-methylhexan-3-amine
PubChem CID106800331
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name6-(2-ethylimidazol-1-yl)-N-methylhexan-3-amine
SMILESCCc1nccn1CCCC(CC)NC
InChIInChI=1S/C12H23N3/c1-4-11(13-3)7-6-9-15-10-8-14-12(15)5-2/h8,10-11,13H,4-7,9H2,1-3H3
InChIKeyGAZXAZLBPFDNSU-UHFFFAOYSA-N
XLogP2.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
2-(ethylamino)-4-(2-ethylimidazol-1-yl)butan-1-ol
CID 64809680
1-dodecyl-2-ethylimidazole;hydrobromide
CID 175123705
1-dodecyl-2-ethylimidazole;hydrochloride
CID 70439493
1-(4-methylpentyl)-2-propylimidazole
CID 83169083
2-methyl-N-[[1-(4-methylpentyl)imidazol-2-yl]methyl]propan-1-amine
CID 83158054
1-[4-(methylamino)hexyl]-3-propylimidazol-2-one
CID 106800521
4-(2-ethylimidazol-1-yl)-N-propylbutan-1-amine
CID 62440432
6-(2-methylimidazol-1-yl)-N-propylhexan-3-amine
CID 106800208
2-ethyl-1-(4-methylsulfanylbutyl)imidazole
CID 141069920
2-ethyl-1-(3-ethylsulfanylpropyl)imidazole
CID 115769672
N-[2-(2-ethylimidazol-1-yl)ethyl]heptan-2-amine
CID 62565525

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylimidazol-1-yl)-N-methylhexan-3-amine?
The IUPAC name of 6-(2-ethylimidazol-1-yl)-N-methylhexan-3-amine (CID 106800331) is 6-(2-ethylimidazol-1-yl)-N-methylhexan-3-amine.
What is the SMILES notation for 6-(2-ethylimidazol-1-yl)-N-methylhexan-3-amine?
The canonical SMILES for 6-(2-ethylimidazol-1-yl)-N-methylhexan-3-amine is CCc1nccn1CCCC(CC)NC.
What is the InChIKey of 6-(2-ethylimidazol-1-yl)-N-methylhexan-3-amine?
The InChIKey is GAZXAZLBPFDNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-11(13-3)7-6-9-15-10-8-14-12(15)5-2/h8,10-11,13H,4-7,9H2,1-3H3.
What are the key properties of 6-(2-ethylimidazol-1-yl)-N-methylhexan-3-amine?
6-(2-ethylimidazol-1-yl)-N-methylhexan-3-amine has a molecular weight of 209.34 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylimidazol-1-yl)-N-methylhexan-3-amine is sourced from PubChem (CID 106800331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).