N-ethyl-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine

C12H23N3 — CID 63967916

IUPACN-ethyl-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
SMILESCCCn1ccnc1C(NCC)C(C)C
InChIInChI=1S/C12H23N3/c1-5-8-15-9-7-14-12(15)11(10(3)4)13-6-2/h7,9-11,13H,5-6,8H2,1-4H3
InChIKeyYQDZIXNMOZHKAX-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.60
Rot. Bonds6

About N-ethyl-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine

N-ethyl-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine (PubChem CID 63967916) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
PubChem CID63967916
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-ethyl-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
SMILESCCCn1ccnc1C(NCC)C(C)C
InChIInChI=1S/C12H23N3/c1-5-8-15-9-7-14-12(15)11(10(3)4)13-6-2/h7,9-11,13H,5-6,8H2,1-4H3
InChIKeyYQDZIXNMOZHKAX-UHFFFAOYSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-amine
CID 63967917
1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 63967915
N-ethyl-1-(1-propylimidazol-2-yl)nonan-1-amine
CID 115859033
2-butan-2-ylsulfanyl-N-ethyl-1-(1-propylimidazol-2-yl)ethanamine
CID 65136269
N-ethyl-2-methoxy-1-(1-propylimidazol-2-yl)ethanamine
CID 63970852
[2,2-difluoro-1-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105265098
2-ethoxy-N-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 64534593
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-propyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63969166
1-butyl-2-propan-2-ylimidazole
CID 11506521
N-[(5-methylpyrazin-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 105148936

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine (CID 63967916) is N-ethyl-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine is CCCn1ccnc1C(NCC)C(C)C.
What is the InChIKey of N-ethyl-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine?
The InChIKey is YQDZIXNMOZHKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-8-15-9-7-14-12(15)11(10(3)4)13-6-2/h7,9-11,13H,5-6,8H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine?
N-ethyl-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 63967916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).