8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine;(2-ethenyl-4-methyl-3-methylidenepent-4-enyl)cyclobutane;3-ethyl-2,2,8,9,9-pentamethyl-4-methylidene-5-(2-methylprop-2-enyl)decane

C52H93N — CID 143358032

IUPAC8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine;(2-ethenyl-4-methyl-3-methylidenepent-4-enyl)cyclobutane;3-ethyl-2,2,8,9,9-pentamethyl-4-methylidene-5-(2-methylprop-2-enyl)decane
SMILESC=C(C)CC(CCC(C)C(C)(C)C)C(=C)C(CC)C(C)(C)C.C=C(CCC1CC1)CCC(NC(=C)C)C(C)(C)C.C=CC(CC1CCC1)C(=C)C(=C)C
InChIInChI=1S/C22H42.C17H31N.C13H20/c1-12-20(22(9,10)11)18(5)19(15-16(2)3)14-13-17(4)21(6,7)8;1-13(2)18-16(17(4,5)6)12-8-14(3)7-9-15-10-11-15;1-5-13(11(4)10(2)3)9-12-7-6-8-12/h17,19-20H,2,5,12-15H2,1,3-4,6-11H3;15-16,18H,1,3,7-12H2,2,4-6H3;5,12-13H,1-2,4,6-9H2,3H3
InChIKeyDGMTXQDHMYAKHG-UHFFFAOYSA-N
MW732.32 g/mol
LogP16.82
Rot. Bonds21

About 8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine;(2-ethenyl-4-methyl-3-methylidenepent-4-enyl)cyclobutane;3-ethyl-2,2,8,9,9-pentamethyl-4-methylidene-5-(2-methylprop-2-enyl)decane

8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine;(2-ethenyl-4-methyl-3-methylidenepent-4-enyl)cyclobutane;3-ethyl-2,2,8,9,9-pentamethyl-4-methylidene-5-(2-methylprop-2-enyl)decane (PubChem CID 143358032) has the molecular formula C52H93N and a molecular weight of 732.32 g/mol. Its IUPAC name is 8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine;(2-ethenyl-4-methyl-3-methylidenepent-4-enyl)cyclobutane;3-ethyl-2,2,8,9,9-pentamethyl-4-methylidene-5-(2-methylprop-2-enyl)decane.

Molecular Properties

Compound Name8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine;(2-ethenyl-4-methyl-3-methylidenepent-4-enyl)cyclobutane;3-ethyl-2,2,8,9,9-pentamethyl-4-methylidene-5-(2-methylprop-2-enyl)decane
PubChem CID143358032
Molecular FormulaC52H93N
Molecular Weight732.32 g/mol
Exact Mass731.73
IUPAC Name8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine;(2-ethenyl-4-methyl-3-methylidenepent-4-enyl)cyclobutane;3-ethyl-2,2,8,9,9-pentamethyl-4-methylidene-5-(2-methylprop-2-enyl)decane
SMILESC=C(C)CC(CCC(C)C(C)(C)C)C(=C)C(CC)C(C)(C)C.C=C(CCC1CC1)CCC(NC(=C)C)C(C)(C)C.C=CC(CC1CCC1)C(=C)C(=C)C
InChIInChI=1S/C22H42.C17H31N.C13H20/c1-12-20(22(9,10)11)18(5)19(15-16(2)3)14-13-17(4)21(6,7)8;1-13(2)18-16(17(4,5)6)12-8-14(3)7-9-15-10-11-15;1-5-13(11(4)10(2)3)9-12-7-6-8-12/h17,19-20H,2,5,12-15H2,1,3-4,6-11H3;15-16,18H,1,3,7-12H2,2,4-6H3;5,12-13H,1-2,4,6-9H2,3H3
InChIKeyDGMTXQDHMYAKHG-UHFFFAOYSA-N
XLogP16.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.32
LogP ≤ 516.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine;(2-ethenyl-4-methyl-3-methylidenepent-4-enyl)cyclobutane;3-ethyl-2,2,8,9,9-pentamethyl-4-methylidene-5-(2-methylprop-2-enyl)decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine;(2-ethenyl-4-methyl-3-methylidenepent-4-enyl)cyclobutane;3-ethyl-2,2,8,9,9-pentamethyl-4-methylidene-5-(2-methylprop-2-enyl)decane?
The IUPAC name of 8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine;(2-ethenyl-4-methyl-3-methylidenepent-4-enyl)cyclobutane;3-ethyl-2,2,8,9,9-pentamethyl-4-methylidene-5-(2-methylprop-2-enyl)decane (CID 143358032) is 8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine;(2-ethenyl-4-methyl-3-methylidenepent-4-enyl)cyclobutane;3-ethyl-2,2,8,9,9-pentamethyl-4-methylidene-5-(2-methylprop-2-enyl)decane.
What is the SMILES notation for 8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine;(2-ethenyl-4-methyl-3-methylidenepent-4-enyl)cyclobutane;3-ethyl-2,2,8,9,9-pentamethyl-4-methylidene-5-(2-methylprop-2-enyl)decane?
The canonical SMILES for 8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine;(2-ethenyl-4-methyl-3-methylidenepent-4-enyl)cyclobutane;3-ethyl-2,2,8,9,9-pentamethyl-4-methylidene-5-(2-methylprop-2-enyl)decane is C=C(C)CC(CCC(C)C(C)(C)C)C(=C)C(CC)C(C)(C)C.C=C(CCC1CC1)CCC(NC(=C)C)C(C)(C)C.C=CC(CC1CCC1)C(=C)C(=C)C.
What is the InChIKey of 8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine;(2-ethenyl-4-methyl-3-methylidenepent-4-enyl)cyclobutane;3-ethyl-2,2,8,9,9-pentamethyl-4-methylidene-5-(2-methylprop-2-enyl)decane?
The InChIKey is DGMTXQDHMYAKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42.C17H31N.C13H20/c1-12-20(22(9,10)11)18(5)19(15-16(2)3)14-13-17(4)21(6,7)8;1-13(2)18-16(17(4,5)6)12-8-14(3)7-9-15-10-11-15;1-5-13(11(4)10(2)3)9-12-7-6-8-12/h17,19-20H,2,5,12-15H2,1,3-4,6-11H3;15-16,18H,1,3,7-12H2,2,4-6H3;5,12-13H,1-2,4,6-9H2,3H3.
What are the key properties of 8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine;(2-ethenyl-4-methyl-3-methylidenepent-4-enyl)cyclobutane;3-ethyl-2,2,8,9,9-pentamethyl-4-methylidene-5-(2-methylprop-2-enyl)decane?
8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine;(2-ethenyl-4-methyl-3-methylidenepent-4-enyl)cyclobutane;3-ethyl-2,2,8,9,9-pentamethyl-4-methylidene-5-(2-methylprop-2-enyl)decane has a molecular weight of 732.32 g/mol, XLogP of 16.82, 21 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine;(2-ethenyl-4-methyl-3-methylidenepent-4-enyl)cyclobutane;3-ethyl-2,2,8,9,9-pentamethyl-4-methylidene-5-(2-methylprop-2-enyl)decane is sourced from PubChem (CID 143358032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).