N-ethyl-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-amine

C13H25N3 — CID 63967928

IUPACN-ethyl-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-amine
SMILESCCNC(CCC(C)C)c1nccn1CC
InChIInChI=1S/C13H25N3/c1-5-14-12(8-7-11(3)4)13-15-9-10-16(13)6-2/h9-12,14H,5-8H2,1-4H3
InChIKeyMQGAIWSKMDJSPL-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.99
Rot. Bonds7

About N-ethyl-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-amine

N-ethyl-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-amine (PubChem CID 63967928) 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)-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-amine
PubChem CID63967928
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-ethyl-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-amine
SMILESCCNC(CCC(C)C)c1nccn1CC
InChIInChI=1S/C13H25N3/c1-5-14-12(8-7-11(3)4)13-15-9-10-16(13)6-2/h9-12,14H,5-8H2,1-4H3
InChIKeyMQGAIWSKMDJSPL-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-ethyl-1-(1-ethylimidazol-2-yl)propan-1-amine
CID 105149887
N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylsulfonylethanamine
CID 115622275
N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-amine
CID 63967917
N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)propan-1-amine
CID 105149854
N-ethyl-1-(1-propylimidazol-2-yl)nonan-1-amine
CID 115859033
[1-(1-ethylimidazol-2-yl)-3-methylbutyl]hydrazine
CID 105198831
N-ethyl-4-(1-ethylimidazol-2-yl)pentan-2-amine
CID 64721202
2-ethoxy-N-ethyl-1-(1-ethylimidazol-2-yl)propan-1-amine
CID 64533396
N-ethyl-3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 105148894
N-ethyl-1-(1-ethylimidazol-2-yl)-2-(2-methoxyethoxy)ethanamine
CID 114032819
N-ethyl-1-(1-ethylimidazol-2-yl)-2-pyridin-2-ylethanamine
CID 63968337
2-(3-chlorophenyl)-N-ethyl-1-(1-ethylimidazol-2-yl)ethanamine
CID 63968122

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-amine?
The IUPAC name of N-ethyl-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-amine (CID 63967928) is N-ethyl-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-amine.
What is the SMILES notation for N-ethyl-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-amine?
The canonical SMILES for N-ethyl-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-amine is CCNC(CCC(C)C)c1nccn1CC.
What is the InChIKey of N-ethyl-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-amine?
The InChIKey is MQGAIWSKMDJSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-14-12(8-7-11(3)4)13-15-9-10-16(13)6-2/h9-12,14H,5-8H2,1-4H3.
What are the key properties of N-ethyl-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-amine?
N-ethyl-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.99, 7 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)-4-methylpentan-1-amine is sourced from PubChem (CID 63967928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).