2-ethyl-1-(1-ethylimidazol-2-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine

C16H30N4 — CID 79067835

IUPAC2-ethyl-1-(1-ethylimidazol-2-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCn1ccnc1C(NC)C(CC)(CC)N1CCCC1
InChIInChI=1S/C16H30N4/c1-5-16(6-2,20-11-8-9-12-20)14(17-4)15-18-10-13-19(15)7-3/h10,13-14,17H,5-9,11-12H2,1-4H3
InChIKeyWKFDLXZPKNBMGC-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.82
Rot. Bonds7

About 2-ethyl-1-(1-ethylimidazol-2-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine

2-ethyl-1-(1-ethylimidazol-2-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 79067835) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-ethyl-1-(1-ethylimidazol-2-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(1-ethylimidazol-2-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID79067835
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-ethyl-1-(1-ethylimidazol-2-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCn1ccnc1C(NC)C(CC)(CC)N1CCCC1
InChIInChI=1S/C16H30N4/c1-5-16(6-2,20-11-8-9-12-20)14(17-4)15-18-10-13-19(15)7-3/h10,13-14,17H,5-9,11-12H2,1-4H3
InChIKeyWKFDLXZPKNBMGC-UHFFFAOYSA-N
XLogP2.82
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylimidazol-2-yl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
CID 79064925
2-ethyl-1-(2-ethylpyrazol-3-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79068153
1-(1-ethylimidazol-2-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79056883
2-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-ol
CID 79051803
1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 63967915
3-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine
CID 63199792
1-(1-ethylimidazol-2-yl)-N,2-dimethylbutan-1-amine
CID 63968362
2,2-diethoxy-1-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 79495582
2-(1-bromoethyl)-1-ethylimidazole
CID 71635251
2-cycloheptyl-1-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 115860135
[3-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-3-methylbutan-2-yl]hydrazine
CID 105240426
2-N,2-N-diethyl-1-N,2-dimethyl-1-(1-propylimidazol-2-yl)propane-1,2-diamine
CID 79055749

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1-ethylimidazol-2-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 2-ethyl-1-(1-ethylimidazol-2-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine (CID 79067835) is 2-ethyl-1-(1-ethylimidazol-2-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 2-ethyl-1-(1-ethylimidazol-2-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 2-ethyl-1-(1-ethylimidazol-2-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine is CCn1ccnc1C(NC)C(CC)(CC)N1CCCC1.
What is the InChIKey of 2-ethyl-1-(1-ethylimidazol-2-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is WKFDLXZPKNBMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-16(6-2,20-11-8-9-12-20)14(17-4)15-18-10-13-19(15)7-3/h10,13-14,17H,5-9,11-12H2,1-4H3.
What are the key properties of 2-ethyl-1-(1-ethylimidazol-2-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine?
2-ethyl-1-(1-ethylimidazol-2-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1-ethylimidazol-2-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 79067835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).