N-ethyl-1-(1-ethylimidazol-2-yl)-5-phenylpentan-2-amine

C18H27N3 — CID 105165971

IUPACN-ethyl-1-(1-ethylimidazol-2-yl)-5-phenylpentan-2-amine
SMILESCCNC(CCCc1ccccc1)Cc1nccn1CC
InChIInChI=1S/C18H27N3/c1-3-19-17(15-18-20-13-14-21(18)4-2)12-8-11-16-9-6-5-7-10-16/h5-7,9-10,13-14,17,19H,3-4,8,11-12,15H2,1-2H3
InChIKeyPQTRGIUHPREXKB-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.45
Rot. Bonds9

About N-ethyl-1-(1-ethylimidazol-2-yl)-5-phenylpentan-2-amine

N-ethyl-1-(1-ethylimidazol-2-yl)-5-phenylpentan-2-amine (PubChem CID 105165971) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-ethyl-1-(1-ethylimidazol-2-yl)-5-phenylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethylimidazol-2-yl)-5-phenylpentan-2-amine
PubChem CID105165971
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-ethyl-1-(1-ethylimidazol-2-yl)-5-phenylpentan-2-amine
SMILESCCNC(CCCc1ccccc1)Cc1nccn1CC
InChIInChI=1S/C18H27N3/c1-3-19-17(15-18-20-13-14-21(18)4-2)12-8-11-16-9-6-5-7-10-16/h5-7,9-10,13-14,17,19H,3-4,8,11-12,15H2,1-2H3
InChIKeyPQTRGIUHPREXKB-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(1-methylimidazol-2-yl)-5-phenylpentan-2-amine
CID 105167284
N-ethyl-1-(1-ethylimidazol-2-yl)hexan-2-amine
CID 79761292
N-ethyl-1-(1-ethylimidazol-2-yl)-4-phenoxybutan-2-amine
CID 79751315
N-ethyl-1-(1-ethylimidazol-2-yl)-3-phenoxypropan-2-amine
CID 79751835
N-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine
CID 79751583
1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-amine
CID 79751475
1-N,1-N,3-N-triethyl-4-(1-ethylimidazol-2-yl)butane-1,3-diamine
CID 79762134
N-ethyl-1-(1-ethylimidazol-2-yl)-3-(4-fluorophenyl)propan-2-amine
CID 79752901
1-(1-ethylimidazol-2-yl)-N-propylnonan-2-amine
CID 105009255
N-methyl-4-phenyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79751946
[1-(1-ethylimidazol-2-yl)-4-pyridin-4-ylbutan-2-yl]hydrazine
CID 105321916
N-ethyl-1-phenoxy-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79751880

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethylimidazol-2-yl)-5-phenylpentan-2-amine?
The IUPAC name of N-ethyl-1-(1-ethylimidazol-2-yl)-5-phenylpentan-2-amine (CID 105165971) is N-ethyl-1-(1-ethylimidazol-2-yl)-5-phenylpentan-2-amine.
What is the SMILES notation for N-ethyl-1-(1-ethylimidazol-2-yl)-5-phenylpentan-2-amine?
The canonical SMILES for N-ethyl-1-(1-ethylimidazol-2-yl)-5-phenylpentan-2-amine is CCNC(CCCc1ccccc1)Cc1nccn1CC.
What is the InChIKey of N-ethyl-1-(1-ethylimidazol-2-yl)-5-phenylpentan-2-amine?
The InChIKey is PQTRGIUHPREXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-19-17(15-18-20-13-14-21(18)4-2)12-8-11-16-9-6-5-7-10-16/h5-7,9-10,13-14,17,19H,3-4,8,11-12,15H2,1-2H3.
What are the key properties of N-ethyl-1-(1-ethylimidazol-2-yl)-5-phenylpentan-2-amine?
N-ethyl-1-(1-ethylimidazol-2-yl)-5-phenylpentan-2-amine has a molecular weight of 285.44 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-ethylimidazol-2-yl)-5-phenylpentan-2-amine is sourced from PubChem (CID 105165971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).