butane;2,4-dimethyl-3-methylidenehept-1-ene;ethane;ethylcyclopropane;5-ethyl-2,3,6,6-tetramethylhept-1-ene;1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine

C54H108N2 — CID 143359232

IUPACbutane;2,4-dimethyl-3-methylidenehept-1-ene;ethane;ethylcyclopropane;5-ethyl-2,3,6,6-tetramethylhept-1-ene;1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine
SMILESC=C(C)C(=C)C(C)CCC.C=C(C)C(C)CC(CC)C(C)(C)C.C=C(C)CCC(NC(=C)NC(C(=C)C)C(C)(C)C)C(C)(C)C.CC.CCC1CC1.CCCC
InChIInChI=1S/C20H38N2.C13H26.C10H18.C5H10.C4H10.C2H6/c1-14(2)12-13-17(19(6,7)8)21-16(5)22-18(15(3)4)20(9,10)11;1-8-12(13(5,6)7)9-11(4)10(2)3;1-6-7-9(4)10(5)8(2)3;1-2-5-3-4-5;1-3-4-2;1-2/h17-18,21-22H,1,3,5,12-13H2,2,4,6-11H3;11-12H,2,8-9H2,1,3-7H3;9H,2,5-7H2,1,3-4H3;5H,2-4H2,1H3;3-4H2,1-2H3;1-2H3
InChIKeyIWSNDOMYJMOJIR-UHFFFAOYSA-N
MW785.47 g/mol
LogP18.25
Rot. Bonds18

About butane;2,4-dimethyl-3-methylidenehept-1-ene;ethane;ethylcyclopropane;5-ethyl-2,3,6,6-tetramethylhept-1-ene;1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine

butane;2,4-dimethyl-3-methylidenehept-1-ene;ethane;ethylcyclopropane;5-ethyl-2,3,6,6-tetramethylhept-1-ene;1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine (PubChem CID 143359232) has the molecular formula C54H108N2 and a molecular weight of 785.47 g/mol. Its IUPAC name is butane;2,4-dimethyl-3-methylidenehept-1-ene;ethane;ethylcyclopropane;5-ethyl-2,3,6,6-tetramethylhept-1-ene;1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine.

Molecular Properties

Compound Namebutane;2,4-dimethyl-3-methylidenehept-1-ene;ethane;ethylcyclopropane;5-ethyl-2,3,6,6-tetramethylhept-1-ene;1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine
PubChem CID143359232
Molecular FormulaC54H108N2
Molecular Weight785.47 g/mol
Exact Mass784.85
IUPAC Namebutane;2,4-dimethyl-3-methylidenehept-1-ene;ethane;ethylcyclopropane;5-ethyl-2,3,6,6-tetramethylhept-1-ene;1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine
SMILESC=C(C)C(=C)C(C)CCC.C=C(C)C(C)CC(CC)C(C)(C)C.C=C(C)CCC(NC(=C)NC(C(=C)C)C(C)(C)C)C(C)(C)C.CC.CCC1CC1.CCCC
InChIInChI=1S/C20H38N2.C13H26.C10H18.C5H10.C4H10.C2H6/c1-14(2)12-13-17(19(6,7)8)21-16(5)22-18(15(3)4)20(9,10)11;1-8-12(13(5,6)7)9-11(4)10(2)3;1-6-7-9(4)10(5)8(2)3;1-2-5-3-4-5;1-3-4-2;1-2/h17-18,21-22H,1,3,5,12-13H2,2,4,6-11H3;11-12H,2,8-9H2,1,3-7H3;9H,2,5-7H2,1,3-4H3;5H,2-4H2,1H3;3-4H2,1-2H3;1-2H3
InChIKeyIWSNDOMYJMOJIR-UHFFFAOYSA-N
XLogP18.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.47
LogP ≤ 518.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze butane;2,4-dimethyl-3-methylidenehept-1-ene;ethane;ethylcyclopropane;5-ethyl-2,3,6,6-tetramethylhept-1-ene;1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of butane;2,4-dimethyl-3-methylidenehept-1-ene;ethane;ethylcyclopropane;5-ethyl-2,3,6,6-tetramethylhept-1-ene;1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine?
The IUPAC name of butane;2,4-dimethyl-3-methylidenehept-1-ene;ethane;ethylcyclopropane;5-ethyl-2,3,6,6-tetramethylhept-1-ene;1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine (CID 143359232) is butane;2,4-dimethyl-3-methylidenehept-1-ene;ethane;ethylcyclopropane;5-ethyl-2,3,6,6-tetramethylhept-1-ene;1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine.
What is the SMILES notation for butane;2,4-dimethyl-3-methylidenehept-1-ene;ethane;ethylcyclopropane;5-ethyl-2,3,6,6-tetramethylhept-1-ene;1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine?
The canonical SMILES for butane;2,4-dimethyl-3-methylidenehept-1-ene;ethane;ethylcyclopropane;5-ethyl-2,3,6,6-tetramethylhept-1-ene;1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine is C=C(C)C(=C)C(C)CCC.C=C(C)C(C)CC(CC)C(C)(C)C.C=C(C)CCC(NC(=C)NC(C(=C)C)C(C)(C)C)C(C)(C)C.CC.CCC1CC1.CCCC.
What is the InChIKey of butane;2,4-dimethyl-3-methylidenehept-1-ene;ethane;ethylcyclopropane;5-ethyl-2,3,6,6-tetramethylhept-1-ene;1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine?
The InChIKey is IWSNDOMYJMOJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2.C13H26.C10H18.C5H10.C4H10.C2H6/c1-14(2)12-13-17(19(6,7)8)21-16(5)22-18(15(3)4)20(9,10)11;1-8-12(13(5,6)7)9-11(4)10(2)3;1-6-7-9(4)10(5)8(2)3;1-2-5-3-4-5;1-3-4-2;1-2/h17-18,21-22H,1,3,5,12-13H2,2,4,6-11H3;11-12H,2,8-9H2,1,3-7H3;9H,2,5-7H2,1,3-4H3;5H,2-4H2,1H3;3-4H2,1-2H3;1-2H3.
What are the key properties of butane;2,4-dimethyl-3-methylidenehept-1-ene;ethane;ethylcyclopropane;5-ethyl-2,3,6,6-tetramethylhept-1-ene;1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine?
butane;2,4-dimethyl-3-methylidenehept-1-ene;ethane;ethylcyclopropane;5-ethyl-2,3,6,6-tetramethylhept-1-ene;1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine has a molecular weight of 785.47 g/mol, XLogP of 18.25, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2,4-dimethyl-3-methylidenehept-1-ene;ethane;ethylcyclopropane;5-ethyl-2,3,6,6-tetramethylhept-1-ene;1-N-(2,2,6-trimethylhept-6-en-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine is sourced from PubChem (CID 143359232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).