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

C11H19N3 — CID 70599547

IUPACN-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCN1CCN=C1CC=C
InChIInChI=1S/C11H19N3/c1-3-5-11-13-8-10-14(11)9-7-12-6-4-2/h3-4,12H,1-2,5-10H2
InChIKeyDICBVUDPFARHKG-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.05
Rot. Bonds7

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

N-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-2-en-1-amine (PubChem CID 70599547) 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-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-2-en-1-amine
PubChem CID70599547
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCN1CCN=C1CC=C
InChIInChI=1S/C11H19N3/c1-3-5-11-13-8-10-14(11)9-7-12-6-4-2/h3-4,12H,1-2,5-10H2
InChIKeyDICBVUDPFARHKG-UHFFFAOYSA-N
XLogP1.05
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enyl-4,5-dihydro-1H-imidazole
CID 21608198
2-But-3-enyl-1-prop-2-enyl-4,5-dihydroimidazole
CID 21608187
5-ethenyl-2-ethyl-4,5-dihydro-1H-imidazole
CID 19431843
2-(4,5-dihydro-1H-imidazol-2-yl)-1,1-bis(prop-2-enyl)-4,5-dihydroimidazol-1-ium
CID 57215732
2-prop-2-enyl-4,5-dihydro-1H-imidazole
CID 57454900
5-methyl-2-prop-2-enyl-4,5-dihydro-1H-imidazole
CID 66693008
2-(2-prop-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine
CID 66830765
2-Ethyl-1-prop-2-enyl-4,5-dihydroimidazol-4-amine
CID 66830767
1-(2-Prop-2-enyl-4,5-dihydroimidazol-1-yl)prop-2-en-1-amine
CID 66993375
1,2-Bis(prop-2-enyl)-4,5-dihydroimidazole
CID 67019107
1-(4,5-dihydro-1H-imidazol-2-yl)prop-2-en-1-amine
CID 67154122
N-[1-(3-methyl-2-prop-2-enyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl]prop-2-en-1-amine
CID 67176355

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-2-en-1-amine?
The IUPAC name of N-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-2-en-1-amine (CID 70599547) is N-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-2-en-1-amine is C=CCNCCN1CCN=C1CC=C.
What is the InChIKey of N-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-2-en-1-amine?
The InChIKey is DICBVUDPFARHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-5-11-13-8-10-14(11)9-7-12-6-4-2/h3-4,12H,1-2,5-10H2.
What are the key properties of N-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-2-en-1-amine?
N-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-2-en-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.05, 7 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-2-en-1-amine is sourced from PubChem (CID 70599547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).