1-(1-ethylimidazol-2-yl)-3,4,4-trimethylpentan-1-amine

C13H25N3 — CID 115860166

IUPAC1-(1-ethylimidazol-2-yl)-3,4,4-trimethylpentan-1-amine
SMILESCCn1ccnc1C(N)CC(C)C(C)(C)C
InChIInChI=1S/C13H25N3/c1-6-16-8-7-15-12(16)11(14)9-10(2)13(3,4)5/h7-8,10-11H,6,9,14H2,1-5H3
InChIKeyFPJUNMWLKIDLDY-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.98
Rot. Bonds4

About 1-(1-ethylimidazol-2-yl)-3,4,4-trimethylpentan-1-amine

1-(1-ethylimidazol-2-yl)-3,4,4-trimethylpentan-1-amine (PubChem CID 115860166) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-3,4,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-3,4,4-trimethylpentan-1-amine
PubChem CID115860166
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-(1-ethylimidazol-2-yl)-3,4,4-trimethylpentan-1-amine
SMILESCCn1ccnc1C(N)CC(C)C(C)(C)C
InChIInChI=1S/C13H25N3/c1-6-16-8-7-15-12(16)11(14)9-10(2)13(3,4)5/h7-8,10-11H,6,9,14H2,1-5H3
InChIKeyFPJUNMWLKIDLDY-UHFFFAOYSA-N
XLogP2.98
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415
1-(1-ethylimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 79092901
1-(1-ethylimidazol-2-yl)-3,3-dimethylbutane-1,2-diol
CID 103457324
3-ethyl-1-(1-methylimidazol-2-yl)pentan-1-amine
CID 82922287
1-ethyl-2-[(1R)-1-iodoethyl]imidazole
CID 97177373
2-(1-bromoethyl)-1-ethylimidazole
CID 71635251
1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol
CID 115800026
1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 63967915
1-(1-ethylimidazol-2-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79056883
[1-(1-ethylimidazol-2-yl)-3-methylbutyl]hydrazine
CID 105198831
1-(1-ethylimidazol-2-yl)-N,3,5,5-tetramethylhexan-1-amine
CID 115860234
(1-ethylimidazol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 61315339

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-3,4,4-trimethylpentan-1-amine?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-3,4,4-trimethylpentan-1-amine (CID 115860166) is 1-(1-ethylimidazol-2-yl)-3,4,4-trimethylpentan-1-amine.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-3,4,4-trimethylpentan-1-amine?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-3,4,4-trimethylpentan-1-amine is CCn1ccnc1C(N)CC(C)C(C)(C)C.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-3,4,4-trimethylpentan-1-amine?
The InChIKey is FPJUNMWLKIDLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-16-8-7-15-12(16)11(14)9-10(2)13(3,4)5/h7-8,10-11H,6,9,14H2,1-5H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-3,4,4-trimethylpentan-1-amine?
1-(1-ethylimidazol-2-yl)-3,4,4-trimethylpentan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-3,4,4-trimethylpentan-1-amine is sourced from PubChem (CID 115860166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).