N-[2-(2-ethylimidazol-1-yl)ethyl]-3-methylbutan-2-amine

C12H23N3 — CID 62565130

IUPACN-[2-(2-ethylimidazol-1-yl)ethyl]-3-methylbutan-2-amine
SMILESCCc1nccn1CCNC(C)C(C)C
InChIInChI=1S/C12H23N3/c1-5-12-14-7-9-15(12)8-6-13-11(4)10(2)3/h7,9-11,13H,5-6,8H2,1-4H3
InChIKeyXLMDCECPACZVRJ-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.08
Rot. Bonds6

About N-[2-(2-ethylimidazol-1-yl)ethyl]-3-methylbutan-2-amine

N-[2-(2-ethylimidazol-1-yl)ethyl]-3-methylbutan-2-amine (PubChem CID 62565130) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-[2-(2-ethylimidazol-1-yl)ethyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(2-ethylimidazol-1-yl)ethyl]-3-methylbutan-2-amine
PubChem CID62565130
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-[2-(2-ethylimidazol-1-yl)ethyl]-3-methylbutan-2-amine
SMILESCCc1nccn1CCNC(C)C(C)C
InChIInChI=1S/C12H23N3/c1-5-12-14-7-9-15(12)8-6-13-11(4)10(2)3/h7,9-11,13H,5-6,8H2,1-4H3
InChIKeyXLMDCECPACZVRJ-UHFFFAOYSA-N
XLogP2.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-ethylimidazol-1-yl)ethyl]heptan-2-amine
CID 62565525
2-ethyl-1-(2-propan-2-yloxyethyl)imidazole
CID 63810193
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
N-[2-(2-ethylimidazol-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62565129
2-(ethylamino)-4-(2-ethylimidazol-1-yl)butan-1-ol
CID 64809680
2-ethyl-1-[2-(2-methylpropylsulfanyl)ethyl]imidazole
CID 84592567
4-(2-ethylimidazol-1-yl)-N-propylbutan-1-amine
CID 62440432
N-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine
CID 62567010
ethane;2-ethyl-1-(2-methoxyethyl)imidazole
CID 164585283
3-(2-ethylimidazol-1-yl)propanal
CID 63040378
1-dodecyl-2-ethylimidazole;hydrobromide
CID 175123705
1-dodecyl-2-ethylimidazole;hydrochloride
CID 70439493

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylimidazol-1-yl)ethyl]-3-methylbutan-2-amine?
The IUPAC name of N-[2-(2-ethylimidazol-1-yl)ethyl]-3-methylbutan-2-amine (CID 62565130) is N-[2-(2-ethylimidazol-1-yl)ethyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[2-(2-ethylimidazol-1-yl)ethyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[2-(2-ethylimidazol-1-yl)ethyl]-3-methylbutan-2-amine is CCc1nccn1CCNC(C)C(C)C.
What is the InChIKey of N-[2-(2-ethylimidazol-1-yl)ethyl]-3-methylbutan-2-amine?
The InChIKey is XLMDCECPACZVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-12-14-7-9-15(12)8-6-13-11(4)10(2)3/h7,9-11,13H,5-6,8H2,1-4H3.
What are the key properties of N-[2-(2-ethylimidazol-1-yl)ethyl]-3-methylbutan-2-amine?
N-[2-(2-ethylimidazol-1-yl)ethyl]-3-methylbutan-2-amine has a molecular weight of 209.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylimidazol-1-yl)ethyl]-3-methylbutan-2-amine is sourced from PubChem (CID 62565130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).