4-(2-cyclohexylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;ethane;1-ethyl-3-[(Z,3E)-3-ethylidene-2-methylidenehex-4-enyl]cyclohexane;methanamine

C32H62N4 — CID 145462044

IUPAC4-(2-cyclohexylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;ethane;1-ethyl-3-[(Z,3E)-3-ethylidene-2-methylidenehex-4-enyl]cyclohexane;methanamine
SMILESC=C(CC1CCCC(CC)C1)C(/C=C\C)=C/C.CC.CN.CN1CC(CCC2CCCCC2)N=C1N
InChIInChI=1S/C17H28.C12H23N3.C2H6.CH5N/c1-5-9-17(7-3)14(4)12-16-11-8-10-15(6-2)13-16;1-15-9-11(14-12(15)13)8-7-10-5-3-2-4-6-10;2*1-2/h5,7,9,15-16H,4,6,8,10-13H2,1-3H3;10-11H,2-9H2,1H3,(H2,13,14);1-2H3;2H2,1H3/b9-5-,17-7+;;;
InChIKeyOYYYXBIDFRUCMP-NKNLVJRJSA-N
MW502.88 g/mol
LogP8.25
Rot. Bonds8

About 4-(2-cyclohexylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;ethane;1-ethyl-3-[(Z,3E)-3-ethylidene-2-methylidenehex-4-enyl]cyclohexane;methanamine

4-(2-cyclohexylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;ethane;1-ethyl-3-[(Z,3E)-3-ethylidene-2-methylidenehex-4-enyl]cyclohexane;methanamine (PubChem CID 145462044) has the molecular formula C32H62N4 and a molecular weight of 502.88 g/mol. Its IUPAC name is 4-(2-cyclohexylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;ethane;1-ethyl-3-[(Z,3E)-3-ethylidene-2-methylidenehex-4-enyl]cyclohexane;methanamine.

Molecular Properties

Compound Name4-(2-cyclohexylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;ethane;1-ethyl-3-[(Z,3E)-3-ethylidene-2-methylidenehex-4-enyl]cyclohexane;methanamine
PubChem CID145462044
Molecular FormulaC32H62N4
Molecular Weight502.88 g/mol
Exact Mass502.50
IUPAC Name4-(2-cyclohexylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;ethane;1-ethyl-3-[(Z,3E)-3-ethylidene-2-methylidenehex-4-enyl]cyclohexane;methanamine
SMILESC=C(CC1CCCC(CC)C1)C(/C=C\C)=C/C.CC.CN.CN1CC(CCC2CCCCC2)N=C1N
InChIInChI=1S/C17H28.C12H23N3.C2H6.CH5N/c1-5-9-17(7-3)14(4)12-16-11-8-10-15(6-2)13-16;1-15-9-11(14-12(15)13)8-7-10-5-3-2-4-6-10;2*1-2/h5,7,9,15-16H,4,6,8,10-13H2,1-3H3;10-11H,2-9H2,1H3,(H2,13,14);1-2H3;2H2,1H3/b9-5-,17-7+;;;
InChIKeyOYYYXBIDFRUCMP-NKNLVJRJSA-N
XLogP8.25
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.88
LogP ≤ 58.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;ethane;1-ethyl-3-[(Z,3E)-3-ethylidene-2-methylidenehex-4-enyl]cyclohexane;methanamine?
The IUPAC name of 4-(2-cyclohexylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;ethane;1-ethyl-3-[(Z,3E)-3-ethylidene-2-methylidenehex-4-enyl]cyclohexane;methanamine (CID 145462044) is 4-(2-cyclohexylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;ethane;1-ethyl-3-[(Z,3E)-3-ethylidene-2-methylidenehex-4-enyl]cyclohexane;methanamine.
What is the SMILES notation for 4-(2-cyclohexylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;ethane;1-ethyl-3-[(Z,3E)-3-ethylidene-2-methylidenehex-4-enyl]cyclohexane;methanamine?
The canonical SMILES for 4-(2-cyclohexylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;ethane;1-ethyl-3-[(Z,3E)-3-ethylidene-2-methylidenehex-4-enyl]cyclohexane;methanamine is C=C(CC1CCCC(CC)C1)C(/C=C\C)=C/C.CC.CN.CN1CC(CCC2CCCCC2)N=C1N.
What is the InChIKey of 4-(2-cyclohexylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;ethane;1-ethyl-3-[(Z,3E)-3-ethylidene-2-methylidenehex-4-enyl]cyclohexane;methanamine?
The InChIKey is OYYYXBIDFRUCMP-NKNLVJRJSA-N. The full InChI is InChI=1S/C17H28.C12H23N3.C2H6.CH5N/c1-5-9-17(7-3)14(4)12-16-11-8-10-15(6-2)13-16;1-15-9-11(14-12(15)13)8-7-10-5-3-2-4-6-10;2*1-2/h5,7,9,15-16H,4,6,8,10-13H2,1-3H3;10-11H,2-9H2,1H3,(H2,13,14);1-2H3;2H2,1H3/b9-5-,17-7+;;;.
What are the key properties of 4-(2-cyclohexylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;ethane;1-ethyl-3-[(Z,3E)-3-ethylidene-2-methylidenehex-4-enyl]cyclohexane;methanamine?
4-(2-cyclohexylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;ethane;1-ethyl-3-[(Z,3E)-3-ethylidene-2-methylidenehex-4-enyl]cyclohexane;methanamine has a molecular weight of 502.88 g/mol, XLogP of 8.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;ethane;1-ethyl-3-[(Z,3E)-3-ethylidene-2-methylidenehex-4-enyl]cyclohexane;methanamine is sourced from PubChem (CID 145462044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).