3-ethyl-1-(1-ethylimidazol-2-yl)-3-phenylpentan-2-amine

C18H27N3 — CID 79752293

IUPAC3-ethyl-1-(1-ethylimidazol-2-yl)-3-phenylpentan-2-amine
SMILESCCn1ccnc1CC(N)C(CC)(CC)c1ccccc1
InChIInChI=1S/C18H27N3/c1-4-18(5-2,15-10-8-7-9-11-15)16(19)14-17-20-12-13-21(17)6-3/h7-13,16H,4-6,14,19H2,1-3H3
InChIKeyYFWQGFJVVATEDG-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.53
Rot. Bonds7

About 3-ethyl-1-(1-ethylimidazol-2-yl)-3-phenylpentan-2-amine

3-ethyl-1-(1-ethylimidazol-2-yl)-3-phenylpentan-2-amine (PubChem CID 79752293) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 3-ethyl-1-(1-ethylimidazol-2-yl)-3-phenylpentan-2-amine.

Molecular Properties

Compound Name3-ethyl-1-(1-ethylimidazol-2-yl)-3-phenylpentan-2-amine
PubChem CID79752293
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name3-ethyl-1-(1-ethylimidazol-2-yl)-3-phenylpentan-2-amine
SMILESCCn1ccnc1CC(N)C(CC)(CC)c1ccccc1
InChIInChI=1S/C18H27N3/c1-4-18(5-2,15-10-8-7-9-11-15)16(19)14-17-20-12-13-21(17)6-3/h7-13,16H,4-6,14,19H2,1-3H3
InChIKeyYFWQGFJVVATEDG-UHFFFAOYSA-N
XLogP3.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-amine
CID 79751475
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
2-(1-ethylimidazol-2-yl)-1-(2-methylphenyl)ethanamine
CID 79751911
1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009550
2-(1-ethylimidazol-2-yl)-1-pyridin-2-ylethanol
CID 79743859
[2-(1-ethylimidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105321898
3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid
CID 79744530
4-amino-1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-one
CID 116552958
[1-(2-ethoxyphenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105260835
2-(1-ethylimidazol-2-yl)-1-quinoxalin-2-ylethanamine
CID 107357294
[2-(1-ethylimidazol-2-yl)-1-naphthalen-1-ylethyl]hydrazine
CID 105213300
2-(1-ethylimidazol-2-yl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 79751489

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1-ethylimidazol-2-yl)-3-phenylpentan-2-amine?
The IUPAC name of 3-ethyl-1-(1-ethylimidazol-2-yl)-3-phenylpentan-2-amine (CID 79752293) is 3-ethyl-1-(1-ethylimidazol-2-yl)-3-phenylpentan-2-amine.
What is the SMILES notation for 3-ethyl-1-(1-ethylimidazol-2-yl)-3-phenylpentan-2-amine?
The canonical SMILES for 3-ethyl-1-(1-ethylimidazol-2-yl)-3-phenylpentan-2-amine is CCn1ccnc1CC(N)C(CC)(CC)c1ccccc1.
What is the InChIKey of 3-ethyl-1-(1-ethylimidazol-2-yl)-3-phenylpentan-2-amine?
The InChIKey is YFWQGFJVVATEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-18(5-2,15-10-8-7-9-11-15)16(19)14-17-20-12-13-21(17)6-3/h7-13,16H,4-6,14,19H2,1-3H3.
What are the key properties of 3-ethyl-1-(1-ethylimidazol-2-yl)-3-phenylpentan-2-amine?
3-ethyl-1-(1-ethylimidazol-2-yl)-3-phenylpentan-2-amine has a molecular weight of 285.44 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1-ethylimidazol-2-yl)-3-phenylpentan-2-amine is sourced from PubChem (CID 79752293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).