1-N-(8-cyclopropyl-2-methyl-6-methylideneoctan-3-yl)-1-N'-[6-(3-ethyl-2,2-dimethylcyclopropyl)-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane

C46H80N2 — CID 143357824

IUPAC1-N-(8-cyclopropyl-2-methyl-6-methylideneoctan-3-yl)-1-N'-[6-(3-ethyl-2,2-dimethylcyclopropyl)-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane
SMILESC=C(C)C(=C)C(C)CC1CCC1.C=C(CCC1CC1)CCC(NC(=C)NC(C(=C)CC(C(=C)C)C1C(CC)C1(C)C)C(C)(C)C)C(C)C
InChIInChI=1S/C34H60N2.C12H20/c1-14-29-31(34(29,12)13)28(22(2)3)21-25(7)32(33(9,10)11)36-26(8)35-30(23(4)5)20-16-24(6)15-17-27-18-19-27;1-9(2)11(4)10(3)8-12-6-5-7-12/h23,27-32,35-36H,2,6-8,14-21H2,1,3-5,9-13H3;10,12H,1,4-8H2,2-3H3
InChIKeyNHKQNJQJCGROHF-UHFFFAOYSA-N
MW661.16 g/mol
LogP13.37
Rot. Bonds21

About 1-N-(8-cyclopropyl-2-methyl-6-methylideneoctan-3-yl)-1-N'-[6-(3-ethyl-2,2-dimethylcyclopropyl)-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane

1-N-(8-cyclopropyl-2-methyl-6-methylideneoctan-3-yl)-1-N'-[6-(3-ethyl-2,2-dimethylcyclopropyl)-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane (PubChem CID 143357824) has the molecular formula C46H80N2 and a molecular weight of 661.16 g/mol. Its IUPAC name is 1-N-(8-cyclopropyl-2-methyl-6-methylideneoctan-3-yl)-1-N'-[6-(3-ethyl-2,2-dimethylcyclopropyl)-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane.

Molecular Properties

Compound Name1-N-(8-cyclopropyl-2-methyl-6-methylideneoctan-3-yl)-1-N'-[6-(3-ethyl-2,2-dimethylcyclopropyl)-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane
PubChem CID143357824
Molecular FormulaC46H80N2
Molecular Weight661.16 g/mol
Exact Mass660.63
IUPAC Name1-N-(8-cyclopropyl-2-methyl-6-methylideneoctan-3-yl)-1-N'-[6-(3-ethyl-2,2-dimethylcyclopropyl)-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane
SMILESC=C(C)C(=C)C(C)CC1CCC1.C=C(CCC1CC1)CCC(NC(=C)NC(C(=C)CC(C(=C)C)C1C(CC)C1(C)C)C(C)(C)C)C(C)C
InChIInChI=1S/C34H60N2.C12H20/c1-14-29-31(34(29,12)13)28(22(2)3)21-25(7)32(33(9,10)11)36-26(8)35-30(23(4)5)20-16-24(6)15-17-27-18-19-27;1-9(2)11(4)10(3)8-12-6-5-7-12/h23,27-32,35-36H,2,6-8,14-21H2,1,3-5,9-13H3;10,12H,1,4-8H2,2-3H3
InChIKeyNHKQNJQJCGROHF-UHFFFAOYSA-N
XLogP13.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.16
LogP ≤ 513.37
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 1-N-(8-cyclopropyl-2-methyl-6-methylideneoctan-3-yl)-1-N'-[6-(3-ethyl-2,2-dimethylcyclopropyl)-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N-(8-cyclopropyl-2-methyl-6-methylideneoctan-3-yl)-1-N'-[6-(3-ethyl-2,2-dimethylcyclopropyl)-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane?
The IUPAC name of 1-N-(8-cyclopropyl-2-methyl-6-methylideneoctan-3-yl)-1-N'-[6-(3-ethyl-2,2-dimethylcyclopropyl)-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane (CID 143357824) is 1-N-(8-cyclopropyl-2-methyl-6-methylideneoctan-3-yl)-1-N'-[6-(3-ethyl-2,2-dimethylcyclopropyl)-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane.
What is the SMILES notation for 1-N-(8-cyclopropyl-2-methyl-6-methylideneoctan-3-yl)-1-N'-[6-(3-ethyl-2,2-dimethylcyclopropyl)-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane?
The canonical SMILES for 1-N-(8-cyclopropyl-2-methyl-6-methylideneoctan-3-yl)-1-N'-[6-(3-ethyl-2,2-dimethylcyclopropyl)-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane is C=C(C)C(=C)C(C)CC1CCC1.C=C(CCC1CC1)CCC(NC(=C)NC(C(=C)CC(C(=C)C)C1C(CC)C1(C)C)C(C)(C)C)C(C)C.
What is the InChIKey of 1-N-(8-cyclopropyl-2-methyl-6-methylideneoctan-3-yl)-1-N'-[6-(3-ethyl-2,2-dimethylcyclopropyl)-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane?
The InChIKey is NHKQNJQJCGROHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H60N2.C12H20/c1-14-29-31(34(29,12)13)28(22(2)3)21-25(7)32(33(9,10)11)36-26(8)35-30(23(4)5)20-16-24(6)15-17-27-18-19-27;1-9(2)11(4)10(3)8-12-6-5-7-12/h23,27-32,35-36H,2,6-8,14-21H2,1,3-5,9-13H3;10,12H,1,4-8H2,2-3H3.
What are the key properties of 1-N-(8-cyclopropyl-2-methyl-6-methylideneoctan-3-yl)-1-N'-[6-(3-ethyl-2,2-dimethylcyclopropyl)-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane?
1-N-(8-cyclopropyl-2-methyl-6-methylideneoctan-3-yl)-1-N'-[6-(3-ethyl-2,2-dimethylcyclopropyl)-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane has a molecular weight of 661.16 g/mol, XLogP of 13.37, 21 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(8-cyclopropyl-2-methyl-6-methylideneoctan-3-yl)-1-N'-[6-(3-ethyl-2,2-dimethylcyclopropyl)-2,2,7-trimethyl-4-methylideneoct-7-en-3-yl]ethene-1,1-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane is sourced from PubChem (CID 143357824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).