N-ethyl-1-(1-methylimidazol-4-yl)prop-2-yn-1-amine

C9H13N3 — CID 107975897

IUPACN-ethyl-1-(1-methylimidazol-4-yl)prop-2-yn-1-amine
SMILESC#CC(NCC)c1cn(C)cn1
InChIInChI=1S/C9H13N3/c1-4-8(10-5-2)9-6-12(3)7-11-9/h1,6-8,10H,5H2,2-3H3
InChIKeyGFMYMLNRYCXVRK-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.70
Rot. Bonds3

About N-ethyl-1-(1-methylimidazol-4-yl)prop-2-yn-1-amine

N-ethyl-1-(1-methylimidazol-4-yl)prop-2-yn-1-amine (PubChem CID 107975897) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is N-ethyl-1-(1-methylimidazol-4-yl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylimidazol-4-yl)prop-2-yn-1-amine
PubChem CID107975897
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC NameN-ethyl-1-(1-methylimidazol-4-yl)prop-2-yn-1-amine
SMILESC#CC(NCC)c1cn(C)cn1
InChIInChI=1S/C9H13N3/c1-4-8(10-5-2)9-6-12(3)7-11-9/h1,6-8,10H,5H2,2-3H3
InChIKeyGFMYMLNRYCXVRK-UHFFFAOYSA-N
XLogP0.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1-methylimidazol-4-yl)prop-2-ynylhydrazine
CID 107979197
N-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine
CID 107973398
1-(1-methylimidazol-4-yl)-N-propylbut-3-yn-1-amine
CID 107973339
N-[(4-chlorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107973322
N-[(1-methylimidazol-2-yl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107975384
N-ethyl-3-methylidene-1-(1-methylimidazol-4-yl)pentan-1-amine
CID 107976217
1-(1-methylimidazol-4-yl)but-3-yn-1-amine
CID 107973346
N-ethyl-1-(1-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107975696
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-[(1-methylimidazol-4-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 107975197
N-ethyl-1-(1-methylimidazol-4-yl)hex-5-en-1-amine
CID 107975605

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylimidazol-4-yl)prop-2-yn-1-amine?
The IUPAC name of N-ethyl-1-(1-methylimidazol-4-yl)prop-2-yn-1-amine (CID 107975897) is N-ethyl-1-(1-methylimidazol-4-yl)prop-2-yn-1-amine.
What is the SMILES notation for N-ethyl-1-(1-methylimidazol-4-yl)prop-2-yn-1-amine?
The canonical SMILES for N-ethyl-1-(1-methylimidazol-4-yl)prop-2-yn-1-amine is C#CC(NCC)c1cn(C)cn1.
What is the InChIKey of N-ethyl-1-(1-methylimidazol-4-yl)prop-2-yn-1-amine?
The InChIKey is GFMYMLNRYCXVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-4-8(10-5-2)9-6-12(3)7-11-9/h1,6-8,10H,5H2,2-3H3.
What are the key properties of N-ethyl-1-(1-methylimidazol-4-yl)prop-2-yn-1-amine?
N-ethyl-1-(1-methylimidazol-4-yl)prop-2-yn-1-amine has a molecular weight of 163.22 g/mol, XLogP of 0.70, 3 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)prop-2-yn-1-amine is sourced from PubChem (CID 107975897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).