1-(1-methylimidazol-4-yl)-N-propylbut-3-yn-1-amine

C11H17N3 — CID 107973339

IUPAC1-(1-methylimidazol-4-yl)-N-propylbut-3-yn-1-amine
SMILESC#CCC(NCCC)c1cn(C)cn1
InChIInChI=1S/C11H17N3/c1-4-6-10(12-7-5-2)11-8-14(3)9-13-11/h1,8-10,12H,5-7H2,2-3H3
InChIKeyFOIUPWBYNBDRPR-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.48
Rot. Bonds5

About 1-(1-methylimidazol-4-yl)-N-propylbut-3-yn-1-amine

1-(1-methylimidazol-4-yl)-N-propylbut-3-yn-1-amine (PubChem CID 107973339) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)-N-propylbut-3-yn-1-amine.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)-N-propylbut-3-yn-1-amine
PubChem CID107973339
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-(1-methylimidazol-4-yl)-N-propylbut-3-yn-1-amine
SMILESC#CCC(NCCC)c1cn(C)cn1
InChIInChI=1S/C11H17N3/c1-4-6-10(12-7-5-2)11-8-14(3)9-13-11/h1,8-10,12H,5-7H2,2-3H3
InChIKeyFOIUPWBYNBDRPR-UHFFFAOYSA-N
XLogP1.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.48
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

3-ethyl-1-(1-methylimidazol-4-yl)-N-propylpentan-1-amine
CID 107977060
1-(1-methylimidazol-4-yl)-N-propylbut-3-en-1-amine
CID 107973946
1-(1-methylimidazol-4-yl)but-3-yn-1-amine
CID 107973346
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine
CID 107976708
1-(1-methylimidazol-4-yl)-N-propyloct-7-en-1-amine
CID 114023315
1-(1-methylimidazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 107977898
N-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine
CID 107973398
N-ethyl-1-(1-methylimidazol-4-yl)prop-2-yn-1-amine
CID 107975897
N-[2-(2,4-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine
CID 107974113
1-(1-methylimidazol-4-yl)pent-4-ynylhydrazine
CID 107979125
N-[2-(2-chloro-3-fluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine
CID 107977183
1-(1-methylimidazol-4-yl)propylhydrazine
CID 107978847

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)-N-propylbut-3-yn-1-amine?
The IUPAC name of 1-(1-methylimidazol-4-yl)-N-propylbut-3-yn-1-amine (CID 107973339) is 1-(1-methylimidazol-4-yl)-N-propylbut-3-yn-1-amine.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)-N-propylbut-3-yn-1-amine?
The canonical SMILES for 1-(1-methylimidazol-4-yl)-N-propylbut-3-yn-1-amine is C#CCC(NCCC)c1cn(C)cn1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)-N-propylbut-3-yn-1-amine?
The InChIKey is FOIUPWBYNBDRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-4-6-10(12-7-5-2)11-8-14(3)9-13-11/h1,8-10,12H,5-7H2,2-3H3.
What are the key properties of 1-(1-methylimidazol-4-yl)-N-propylbut-3-yn-1-amine?
1-(1-methylimidazol-4-yl)-N-propylbut-3-yn-1-amine has a molecular weight of 191.28 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)-N-propylbut-3-yn-1-amine is sourced from PubChem (CID 107973339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).