N-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-1-en-2-amine

C11H19N3 — CID 70599548

IUPACN-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-1-en-2-amine
SMILESC=CCC1=NCCN1CCNC(=C)C
InChIInChI=1S/C11H19N3/c1-4-5-11-13-7-9-14(11)8-6-12-10(2)3/h4,12H,1-2,5-9H2,3H3
InChIKeyZHWRSVCLOSLMRY-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.40
Rot. Bonds6

About N-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-1-en-2-amine

N-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-1-en-2-amine (PubChem CID 70599548) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-1-en-2-amine
PubChem CID70599548
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-1-en-2-amine
SMILESC=CCC1=NCCN1CCNC(=C)C
InChIInChI=1S/C11H19N3/c1-4-5-11-13-7-9-14(11)8-6-12-10(2)3/h4,12H,1-2,5-9H2,3H3
InChIKeyZHWRSVCLOSLMRY-UHFFFAOYSA-N
XLogP1.40
TPSA27.63 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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-1-en-2-amine?
The IUPAC name of N-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-1-en-2-amine (CID 70599548) is N-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-1-en-2-amine.
What is the SMILES notation for N-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-1-en-2-amine?
The canonical SMILES for N-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-1-en-2-amine is C=CCC1=NCCN1CCNC(=C)C.
What is the InChIKey of N-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-1-en-2-amine?
The InChIKey is ZHWRSVCLOSLMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-5-11-13-7-9-14(11)8-6-12-10(2)3/h4,12H,1-2,5-9H2,3H3.
What are the key properties of N-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-1-en-2-amine?
N-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-1-en-2-amine has a molecular weight of 193.29 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-1-en-2-amine is sourced from PubChem (CID 70599548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).