N-ethyl-1-(1-ethylimidazol-2-yl)-3,3-dimethylbutan-2-amine

C13H25N3 — CID 63198335

IUPACN-ethyl-1-(1-ethylimidazol-2-yl)-3,3-dimethylbutan-2-amine
SMILESCCNC(Cc1nccn1CC)C(C)(C)C
InChIInChI=1S/C13H25N3/c1-6-14-11(13(3,4)5)10-12-15-8-9-16(12)7-2/h8-9,11,14H,6-7,10H2,1-5H3
InChIKeyRZODQZOAMBJQGK-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.47
Rot. Bonds5

About N-ethyl-1-(1-ethylimidazol-2-yl)-3,3-dimethylbutan-2-amine

N-ethyl-1-(1-ethylimidazol-2-yl)-3,3-dimethylbutan-2-amine (PubChem CID 63198335) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-ethyl-1-(1-ethylimidazol-2-yl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethylimidazol-2-yl)-3,3-dimethylbutan-2-amine
PubChem CID63198335
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-ethyl-1-(1-ethylimidazol-2-yl)-3,3-dimethylbutan-2-amine
SMILESCCNC(Cc1nccn1CC)C(C)(C)C
InChIInChI=1S/C13H25N3/c1-6-14-11(13(3,4)5)10-12-15-8-9-16(12)7-2/h8-9,11,14H,6-7,10H2,1-5H3
InChIKeyRZODQZOAMBJQGK-UHFFFAOYSA-N
XLogP2.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79752910
1-(1-ethylimidazol-2-yl)-N,3,3-trimethylpentan-2-amine
CID 105009154
3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79753036
3-(1-ethylimidazol-2-yl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 105009494
N-ethyl-1-(1-ethylimidazol-2-yl)hexan-2-amine
CID 79761292
[3-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylpentan-2-yl]hydrazine
CID 105274938
N,3-diethyl-3-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 116761173
N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215787
[3-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-3-methylbutan-2-yl]hydrazine
CID 105240426
N-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine
CID 79751583
N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine
CID 116715779
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 79751359

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethylimidazol-2-yl)-3,3-dimethylbutan-2-amine?
The IUPAC name of N-ethyl-1-(1-ethylimidazol-2-yl)-3,3-dimethylbutan-2-amine (CID 63198335) is N-ethyl-1-(1-ethylimidazol-2-yl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-(1-ethylimidazol-2-yl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-ethyl-1-(1-ethylimidazol-2-yl)-3,3-dimethylbutan-2-amine is CCNC(Cc1nccn1CC)C(C)(C)C.
What is the InChIKey of N-ethyl-1-(1-ethylimidazol-2-yl)-3,3-dimethylbutan-2-amine?
The InChIKey is RZODQZOAMBJQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-14-11(13(3,4)5)10-12-15-8-9-16(12)7-2/h8-9,11,14H,6-7,10H2,1-5H3.
What are the key properties of N-ethyl-1-(1-ethylimidazol-2-yl)-3,3-dimethylbutan-2-amine?
N-ethyl-1-(1-ethylimidazol-2-yl)-3,3-dimethylbutan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.47, 5 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)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 63198335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).