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

C13H25N3 — CID 105009154

IUPAC1-(1-ethylimidazol-2-yl)-N,3,3-trimethylpentan-2-amine
SMILESCCn1ccnc1CC(NC)C(C)(C)CC
InChIInChI=1S/C13H25N3/c1-6-13(3,4)11(14-5)10-12-15-8-9-16(12)7-2/h8-9,11,14H,6-7,10H2,1-5H3
InChIKeyVXWPUAVQMHKRSE-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.47
Rot. Bonds6

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

1-(1-ethylimidazol-2-yl)-N,3,3-trimethylpentan-2-amine (PubChem CID 105009154) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-N,3,3-trimethylpentan-2-amine.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-N,3,3-trimethylpentan-2-amine
PubChem CID105009154
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-(1-ethylimidazol-2-yl)-N,3,3-trimethylpentan-2-amine
SMILESCCn1ccnc1CC(NC)C(C)(C)CC
InChIInChI=1S/C13H25N3/c1-6-13(3,4)11(14-5)10-12-15-8-9-16(12)7-2/h8-9,11,14H,6-7,10H2,1-5H3
InChIKeyVXWPUAVQMHKRSE-UHFFFAOYSA-N
XLogP2.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

3-(1-ethylimidazol-2-yl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 105009494
N-ethyl-1-(1-ethylimidazol-2-yl)-3,3-dimethylbutan-2-amine
CID 63198335
[3-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylpentan-2-yl]hydrazine
CID 105274938
3-(1-ethylimidazol-2-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516863
3-ethoxy-3-ethyl-N-methyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 116759914
3-ethyl-2-N,3-N,3-N-trimethyl-1-(1-propylimidazol-2-yl)pentane-2,3-diamine
CID 79762367
3-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 64666437
1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 79751362
[3-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-3-methylbutan-2-yl]hydrazine
CID 105240426
N,3,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 104997587
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
N,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 63198283

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-N,3,3-trimethylpentan-2-amine?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-N,3,3-trimethylpentan-2-amine (CID 105009154) is 1-(1-ethylimidazol-2-yl)-N,3,3-trimethylpentan-2-amine.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-N,3,3-trimethylpentan-2-amine?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-N,3,3-trimethylpentan-2-amine is CCn1ccnc1CC(NC)C(C)(C)CC.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-N,3,3-trimethylpentan-2-amine?
The InChIKey is VXWPUAVQMHKRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-13(3,4)11(14-5)10-12-15-8-9-16(12)7-2/h8-9,11,14H,6-7,10H2,1-5H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-N,3,3-trimethylpentan-2-amine?
1-(1-ethylimidazol-2-yl)-N,3,3-trimethylpentan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.47, 6 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)-N,3,3-trimethylpentan-2-amine is sourced from PubChem (CID 105009154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).