N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-en-2-amine

C11H19N3 — CID 115901331

IUPACN-[1-(1-methylimidazol-2-yl)ethyl]pent-4-en-2-amine
SMILESC=CCC(C)NC(C)c1nccn1C
InChIInChI=1S/C11H19N3/c1-5-6-9(2)13-10(3)11-12-7-8-14(11)4/h5,7-10,13H,1,6H2,2-4H3
InChIKeyJUOLBTNUBUNQHL-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.04
Rot. Bonds5

About N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-en-2-amine

N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-en-2-amine (PubChem CID 115901331) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-en-2-amine.

Molecular Properties

Compound NameN-[1-(1-methylimidazol-2-yl)ethyl]pent-4-en-2-amine
PubChem CID115901331
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[1-(1-methylimidazol-2-yl)ethyl]pent-4-en-2-amine
SMILESC=CCC(C)NC(C)c1nccn1C
InChIInChI=1S/C11H19N3/c1-5-6-9(2)13-10(3)11-12-7-8-14(11)4/h5,7-10,13H,1,6H2,2-4H3
InChIKeyJUOLBTNUBUNQHL-UHFFFAOYSA-N
XLogP2.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

N-[1-(1-methylimidazol-2-yl)ethyl]octan-4-amine
CID 103914355
1-methyl-2-(1-phenylbut-3-enyl)imidazole
CID 175452122
(1S)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81357198
(2R)-N,N-dimethyl-2-[1-(1-methylimidazol-2-yl)ethylamino]propanamide
CID 103914492
1-methyl-2-pentan-3-ylimidazole
CID 89261277
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 112551903
1-(1-methylimidazol-2-yl)prop-2-en-1-ol
CID 58549926
(1R)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81404141
1-(1-methylimidazol-2-yl)hex-5-en-3-ylhydrazine
CID 105269747
2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol
CID 65104045
N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 103913887
3,3-dimethyl-4-[1-(1-methylimidazol-2-yl)ethylamino]butan-1-ol
CID 115901187

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-en-2-amine?
The IUPAC name of N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-en-2-amine (CID 115901331) is N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-en-2-amine.
What is the SMILES notation for N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-en-2-amine?
The canonical SMILES for N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-en-2-amine is C=CCC(C)NC(C)c1nccn1C.
What is the InChIKey of N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-en-2-amine?
The InChIKey is JUOLBTNUBUNQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-5-6-9(2)13-10(3)11-12-7-8-14(11)4/h5,7-10,13H,1,6H2,2-4H3.
What are the key properties of N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-en-2-amine?
N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-en-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-en-2-amine is sourced from PubChem (CID 115901331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).