2-(4,5-dihydroimidazol-1-yl)-N-prop-2-enylhex-5-en-2-amine

C12H21N3 — CID 69381236

IUPAC2-(4,5-dihydroimidazol-1-yl)-N-prop-2-enylhex-5-en-2-amine
SMILESC=CCCC(C)(NCC=C)N1C=NCC1
InChIInChI=1S/C12H21N3/c1-4-6-7-12(3,14-8-5-2)15-10-9-13-11-15/h4-5,11,14H,1-2,6-10H2,3H3
InChIKeySTDWCUOTTULCND-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.79
Rot. Bonds7

About 2-(4,5-dihydroimidazol-1-yl)-N-prop-2-enylhex-5-en-2-amine

2-(4,5-dihydroimidazol-1-yl)-N-prop-2-enylhex-5-en-2-amine (PubChem CID 69381236) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(4,5-dihydroimidazol-1-yl)-N-prop-2-enylhex-5-en-2-amine.

Molecular Properties

Compound Name2-(4,5-dihydroimidazol-1-yl)-N-prop-2-enylhex-5-en-2-amine
PubChem CID69381236
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-(4,5-dihydroimidazol-1-yl)-N-prop-2-enylhex-5-en-2-amine
SMILESC=CCCC(C)(NCC=C)N1C=NCC1
InChIInChI=1S/C12H21N3/c1-4-6-7-12(3,14-8-5-2)15-10-9-13-11-15/h4-5,11,14H,1-2,6-10H2,3H3
InChIKeySTDWCUOTTULCND-UHFFFAOYSA-N
XLogP1.79
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.79
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 2-(4,5-dihydroimidazol-1-yl)-N-prop-2-enylhex-5-en-2-amine?
The IUPAC name of 2-(4,5-dihydroimidazol-1-yl)-N-prop-2-enylhex-5-en-2-amine (CID 69381236) is 2-(4,5-dihydroimidazol-1-yl)-N-prop-2-enylhex-5-en-2-amine.
What is the SMILES notation for 2-(4,5-dihydroimidazol-1-yl)-N-prop-2-enylhex-5-en-2-amine?
The canonical SMILES for 2-(4,5-dihydroimidazol-1-yl)-N-prop-2-enylhex-5-en-2-amine is C=CCCC(C)(NCC=C)N1C=NCC1.
What is the InChIKey of 2-(4,5-dihydroimidazol-1-yl)-N-prop-2-enylhex-5-en-2-amine?
The InChIKey is STDWCUOTTULCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-6-7-12(3,14-8-5-2)15-10-9-13-11-15/h4-5,11,14H,1-2,6-10H2,3H3.
What are the key properties of 2-(4,5-dihydroimidazol-1-yl)-N-prop-2-enylhex-5-en-2-amine?
2-(4,5-dihydroimidazol-1-yl)-N-prop-2-enylhex-5-en-2-amine has a molecular weight of 207.32 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydroimidazol-1-yl)-N-prop-2-enylhex-5-en-2-amine is sourced from PubChem (CID 69381236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).