(4R)-4-(2-cyclohexylethyl)-4-[(3-cyclopentylcyclohexyl)methyl]-1-methyl-2,5-dimethylideneimidazolidine;ethane;ethene;methane

C31H58N2 — CID 145461913

IUPAC(4R)-4-(2-cyclohexylethyl)-4-[(3-cyclopentylcyclohexyl)methyl]-1-methyl-2,5-dimethylideneimidazolidine;ethane;ethene;methane
SMILESC.C=C.C=C1N[C@](CCC2CCCCC2)(CC2CCCC(C3CCCC3)C2)C(=C)N1C.CC
InChIInChI=1S/C26H44N2.C2H6.C2H4.CH4/c1-20-26(27-21(2)28(20)3,17-16-22-10-5-4-6-11-22)19-23-12-9-15-25(18-23)24-13-7-8-14-24;2*1-2;/h22-25,27H,1-2,4-19H2,3H3;1-2H3;1-2H2;1H4/t23?,25?,26-;;;/m1.../s1
InChIKeyOGOMWNZUMVDILV-HSFWDLNMSA-N
MW458.82 g/mol
LogP9.46
Rot. Bonds6

About (4R)-4-(2-cyclohexylethyl)-4-[(3-cyclopentylcyclohexyl)methyl]-1-methyl-2,5-dimethylideneimidazolidine;ethane;ethene;methane

(4R)-4-(2-cyclohexylethyl)-4-[(3-cyclopentylcyclohexyl)methyl]-1-methyl-2,5-dimethylideneimidazolidine;ethane;ethene;methane (PubChem CID 145461913) has the molecular formula C31H58N2 and a molecular weight of 458.82 g/mol. Its IUPAC name is (4R)-4-(2-cyclohexylethyl)-4-[(3-cyclopentylcyclohexyl)methyl]-1-methyl-2,5-dimethylideneimidazolidine;ethane;ethene;methane.

Molecular Properties

Compound Name(4R)-4-(2-cyclohexylethyl)-4-[(3-cyclopentylcyclohexyl)methyl]-1-methyl-2,5-dimethylideneimidazolidine;ethane;ethene;methane
PubChem CID145461913
Molecular FormulaC31H58N2
Molecular Weight458.82 g/mol
Exact Mass458.46
IUPAC Name(4R)-4-(2-cyclohexylethyl)-4-[(3-cyclopentylcyclohexyl)methyl]-1-methyl-2,5-dimethylideneimidazolidine;ethane;ethene;methane
SMILESC.C=C.C=C1N[C@](CCC2CCCCC2)(CC2CCCC(C3CCCC3)C2)C(=C)N1C.CC
InChIInChI=1S/C26H44N2.C2H6.C2H4.CH4/c1-20-26(27-21(2)28(20)3,17-16-22-10-5-4-6-11-22)19-23-12-9-15-25(18-23)24-13-7-8-14-24;2*1-2;/h22-25,27H,1-2,4-19H2,3H3;1-2H3;1-2H2;1H4/t23?,25?,26-;;;/m1.../s1
InChIKeyOGOMWNZUMVDILV-HSFWDLNMSA-N
XLogP9.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.82
LogP ≤ 59.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (4R)-4-(2-cyclohexylethyl)-4-[(3-cyclopentylcyclohexyl)methyl]-1-methyl-2,5-dimethylideneimidazolidine;ethane;ethene;methane?
The IUPAC name of (4R)-4-(2-cyclohexylethyl)-4-[(3-cyclopentylcyclohexyl)methyl]-1-methyl-2,5-dimethylideneimidazolidine;ethane;ethene;methane (CID 145461913) is (4R)-4-(2-cyclohexylethyl)-4-[(3-cyclopentylcyclohexyl)methyl]-1-methyl-2,5-dimethylideneimidazolidine;ethane;ethene;methane.
What is the SMILES notation for (4R)-4-(2-cyclohexylethyl)-4-[(3-cyclopentylcyclohexyl)methyl]-1-methyl-2,5-dimethylideneimidazolidine;ethane;ethene;methane?
The canonical SMILES for (4R)-4-(2-cyclohexylethyl)-4-[(3-cyclopentylcyclohexyl)methyl]-1-methyl-2,5-dimethylideneimidazolidine;ethane;ethene;methane is C.C=C.C=C1N[C@](CCC2CCCCC2)(CC2CCCC(C3CCCC3)C2)C(=C)N1C.CC.
What is the InChIKey of (4R)-4-(2-cyclohexylethyl)-4-[(3-cyclopentylcyclohexyl)methyl]-1-methyl-2,5-dimethylideneimidazolidine;ethane;ethene;methane?
The InChIKey is OGOMWNZUMVDILV-HSFWDLNMSA-N. The full InChI is InChI=1S/C26H44N2.C2H6.C2H4.CH4/c1-20-26(27-21(2)28(20)3,17-16-22-10-5-4-6-11-22)19-23-12-9-15-25(18-23)24-13-7-8-14-24;2*1-2;/h22-25,27H,1-2,4-19H2,3H3;1-2H3;1-2H2;1H4/t23?,25?,26-;;;/m1.../s1.
What are the key properties of (4R)-4-(2-cyclohexylethyl)-4-[(3-cyclopentylcyclohexyl)methyl]-1-methyl-2,5-dimethylideneimidazolidine;ethane;ethene;methane?
(4R)-4-(2-cyclohexylethyl)-4-[(3-cyclopentylcyclohexyl)methyl]-1-methyl-2,5-dimethylideneimidazolidine;ethane;ethene;methane has a molecular weight of 458.82 g/mol, XLogP of 9.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-cyclohexylethyl)-4-[(3-cyclopentylcyclohexyl)methyl]-1-methyl-2,5-dimethylideneimidazolidine;ethane;ethene;methane is sourced from PubChem (CID 145461913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).