1-(4,5-dipentyl-1,2-dihydroimidazol-3-yl)-N-prop-2-enylprop-2-en-1-amine

C19H35N3 — CID 70367347

IUPAC1-(4,5-dipentyl-1,2-dihydroimidazol-3-yl)-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCNC(C=C)N1CNC(CCCCC)=C1CCCCC
InChIInChI=1S/C19H35N3/c1-5-9-11-13-17-18(14-12-10-6-2)22(16-21-17)19(8-4)20-15-7-3/h7-8,19-21H,3-6,9-16H2,1-2H3
InChIKeyXQWYENJVABCAAW-UHFFFAOYSA-N
MW305.51 g/mol
LogP4.51
Rot. Bonds13

About 1-(4,5-dipentyl-1,2-dihydroimidazol-3-yl)-N-prop-2-enylprop-2-en-1-amine

1-(4,5-dipentyl-1,2-dihydroimidazol-3-yl)-N-prop-2-enylprop-2-en-1-amine (PubChem CID 70367347) has the molecular formula C19H35N3 and a molecular weight of 305.51 g/mol. Its IUPAC name is 1-(4,5-dipentyl-1,2-dihydroimidazol-3-yl)-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(4,5-dipentyl-1,2-dihydroimidazol-3-yl)-N-prop-2-enylprop-2-en-1-amine
PubChem CID70367347
Molecular FormulaC19H35N3
Molecular Weight305.51 g/mol
Exact Mass305.28
IUPAC Name1-(4,5-dipentyl-1,2-dihydroimidazol-3-yl)-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCNC(C=C)N1CNC(CCCCC)=C1CCCCC
InChIInChI=1S/C19H35N3/c1-5-9-11-13-17-18(14-12-10-6-2)22(16-21-17)19(8-4)20-15-7-3/h7-8,19-21H,3-6,9-16H2,1-2H3
InChIKeyXQWYENJVABCAAW-UHFFFAOYSA-N
XLogP4.51
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 54.51
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dipentyl-1,2-dihydroimidazol-3-yl)-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of 1-(4,5-dipentyl-1,2-dihydroimidazol-3-yl)-N-prop-2-enylprop-2-en-1-amine (CID 70367347) is 1-(4,5-dipentyl-1,2-dihydroimidazol-3-yl)-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for 1-(4,5-dipentyl-1,2-dihydroimidazol-3-yl)-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for 1-(4,5-dipentyl-1,2-dihydroimidazol-3-yl)-N-prop-2-enylprop-2-en-1-amine is C=CCNC(C=C)N1CNC(CCCCC)=C1CCCCC.
What is the InChIKey of 1-(4,5-dipentyl-1,2-dihydroimidazol-3-yl)-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is XQWYENJVABCAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3/c1-5-9-11-13-17-18(14-12-10-6-2)22(16-21-17)19(8-4)20-15-7-3/h7-8,19-21H,3-6,9-16H2,1-2H3.
What are the key properties of 1-(4,5-dipentyl-1,2-dihydroimidazol-3-yl)-N-prop-2-enylprop-2-en-1-amine?
1-(4,5-dipentyl-1,2-dihydroimidazol-3-yl)-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 305.51 g/mol, XLogP of 4.51, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dipentyl-1,2-dihydroimidazol-3-yl)-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 70367347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).