4,4-dibutyl-2-methylidene-1-(3-propylhexyl)imidazolidine

C21H42N2 — CID 143064826

IUPAC4,4-dibutyl-2-methylidene-1-(3-propylhexyl)imidazolidine
SMILESC=C1NC(CCCC)(CCCC)CN1CCC(CCC)CCC
InChIInChI=1S/C21H42N2/c1-6-10-15-21(16-11-7-2)18-23(19(5)22-21)17-14-20(12-8-3)13-9-4/h20,22H,5-18H2,1-4H3
InChIKeyGUDFQYACOFFLHN-UHFFFAOYSA-N
MW322.58 g/mol
LogP6.09
Rot. Bonds13

About 4,4-dibutyl-2-methylidene-1-(3-propylhexyl)imidazolidine

4,4-dibutyl-2-methylidene-1-(3-propylhexyl)imidazolidine (PubChem CID 143064826) has the molecular formula C21H42N2 and a molecular weight of 322.58 g/mol. Its IUPAC name is 4,4-dibutyl-2-methylidene-1-(3-propylhexyl)imidazolidine.

Molecular Properties

Compound Name4,4-dibutyl-2-methylidene-1-(3-propylhexyl)imidazolidine
PubChem CID143064826
Molecular FormulaC21H42N2
Molecular Weight322.58 g/mol
Exact Mass322.33
IUPAC Name4,4-dibutyl-2-methylidene-1-(3-propylhexyl)imidazolidine
SMILESC=C1NC(CCCC)(CCCC)CN1CCC(CCC)CCC
InChIInChI=1S/C21H42N2/c1-6-10-15-21(16-11-7-2)18-23(19(5)22-21)17-14-20(12-8-3)13-9-4/h20,22H,5-18H2,1-4H3
InChIKeyGUDFQYACOFFLHN-UHFFFAOYSA-N
XLogP6.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dibutyl-2-methylidene-1-(3-propylhexyl)imidazolidine?
The IUPAC name of 4,4-dibutyl-2-methylidene-1-(3-propylhexyl)imidazolidine (CID 143064826) is 4,4-dibutyl-2-methylidene-1-(3-propylhexyl)imidazolidine.
What is the SMILES notation for 4,4-dibutyl-2-methylidene-1-(3-propylhexyl)imidazolidine?
The canonical SMILES for 4,4-dibutyl-2-methylidene-1-(3-propylhexyl)imidazolidine is C=C1NC(CCCC)(CCCC)CN1CCC(CCC)CCC.
What is the InChIKey of 4,4-dibutyl-2-methylidene-1-(3-propylhexyl)imidazolidine?
The InChIKey is GUDFQYACOFFLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2/c1-6-10-15-21(16-11-7-2)18-23(19(5)22-21)17-14-20(12-8-3)13-9-4/h20,22H,5-18H2,1-4H3.
What are the key properties of 4,4-dibutyl-2-methylidene-1-(3-propylhexyl)imidazolidine?
4,4-dibutyl-2-methylidene-1-(3-propylhexyl)imidazolidine has a molecular weight of 322.58 g/mol, XLogP of 6.09, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dibutyl-2-methylidene-1-(3-propylhexyl)imidazolidine is sourced from PubChem (CID 143064826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).