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

C11H19N3 — CID 107973946

IUPAC1-(1-methylimidazol-4-yl)-N-propylbut-3-en-1-amine
SMILESC=CCC(NCCC)c1cn(C)cn1
InChIInChI=1S/C11H19N3/c1-4-6-10(12-7-5-2)11-8-14(3)9-13-11/h4,8-10,12H,1,5-7H2,2-3H3
InChIKeyFNAKIKSZEPNGPT-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.04
Rot. Bonds6

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

1-(1-methylimidazol-4-yl)-N-propylbut-3-en-1-amine (PubChem CID 107973946) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)-N-propylbut-3-en-1-amine
PubChem CID107973946
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-(1-methylimidazol-4-yl)-N-propylbut-3-en-1-amine
SMILESC=CCC(NCCC)c1cn(C)cn1
InChIInChI=1S/C11H19N3/c1-4-6-10(12-7-5-2)11-8-14(3)9-13-11/h4,8-10,12H,1,5-7H2,2-3H3
InChIKeyFNAKIKSZEPNGPT-UHFFFAOYSA-N
XLogP2.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methylimidazol-4-yl)-N-propyloct-7-en-1-amine
CID 114023315
3-ethyl-1-(1-methylimidazol-4-yl)-N-propylpentan-1-amine
CID 107977060
1-(1-methylimidazol-4-yl)-N-propylbut-3-yn-1-amine
CID 107973339
N-ethyl-1-(1-methylimidazol-4-yl)hex-5-en-1-amine
CID 107975605
N-[2-(2,4-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine
CID 107974113
1-(1-methylimidazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 107977898
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine
CID 107976708
N-propyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine
CID 105108337
N-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine
CID 107973398
1-(1-methylimidazol-4-yl)pent-4-enylhydrazine
CID 107979159
N-methyl-1-(1-methylimidazol-4-yl)hex-5-en-1-amine
CID 107975594
N-[2-(2-chloro-3-fluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine
CID 107977183

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)-N-propylbut-3-en-1-amine?
The IUPAC name of 1-(1-methylimidazol-4-yl)-N-propylbut-3-en-1-amine (CID 107973946) is 1-(1-methylimidazol-4-yl)-N-propylbut-3-en-1-amine.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)-N-propylbut-3-en-1-amine?
The canonical SMILES for 1-(1-methylimidazol-4-yl)-N-propylbut-3-en-1-amine is C=CCC(NCCC)c1cn(C)cn1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)-N-propylbut-3-en-1-amine?
The InChIKey is FNAKIKSZEPNGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-6-10(12-7-5-2)11-8-14(3)9-13-11/h4,8-10,12H,1,5-7H2,2-3H3.
What are the key properties of 1-(1-methylimidazol-4-yl)-N-propylbut-3-en-1-amine?
1-(1-methylimidazol-4-yl)-N-propylbut-3-en-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.04, 6 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-en-1-amine is sourced from PubChem (CID 107973946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).