N-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine

C9H17N3 — CID 107973398

IUPACN-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine
SMILESCCNC(CC)c1cn(C)cn1
InChIInChI=1S/C9H17N3/c1-4-8(10-5-2)9-6-12(3)7-11-9/h6-8,10H,4-5H2,1-3H3
InChIKeyASSWEQIEMMPUGS-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.48
Rot. Bonds4

About N-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine

N-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine (PubChem CID 107973398) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine
PubChem CID107973398
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine
SMILESCCNC(CC)c1cn(C)cn1
InChIInChI=1S/C9H17N3/c1-4-8(10-5-2)9-6-12(3)7-11-9/h6-8,10H,4-5H2,1-3H3
InChIKeyASSWEQIEMMPUGS-UHFFFAOYSA-N
XLogP1.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylimidazol-4-yl)propylhydrazine
CID 107978847
N-ethyl-3-methylidene-1-(1-methylimidazol-4-yl)pentan-1-amine
CID 107976217
N-ethyl-4-methoxy-1-(1-methylimidazol-4-yl)butan-1-amine
CID 107977818
N-ethyl-1-(1-methylimidazol-4-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 107976951
N-ethyl-1-(1-methylimidazol-4-yl)hex-5-en-1-amine
CID 107975605
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107974435
3-ethyl-1-(1-methylimidazol-4-yl)-N-propylpentan-1-amine
CID 107977060
N-ethyl-1-(1-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107975696
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107977346
N-ethyl-1-(1-methylimidazol-4-yl)prop-2-yn-1-amine
CID 107975897
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107974369
4-(1-chloropropyl)-1-methylimidazole
CID 130509834

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine (CID 107973398) is N-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine is CCNC(CC)c1cn(C)cn1.
What is the InChIKey of N-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine?
The InChIKey is ASSWEQIEMMPUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-8(10-5-2)9-6-12(3)7-11-9/h6-8,10H,4-5H2,1-3H3.
What are the key properties of N-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine?
N-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine is sourced from PubChem (CID 107973398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).