(5S)-5-tert-butyl-4-methyl-3-methylideneoctane;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine;ethane

C52H99N3 — CID 143355946

About (5S)-5-tert-butyl-4-methyl-3-methylideneoctane;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine;ethane

(5S)-5-tert-butyl-4-methyl-3-methylideneoctane;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine;ethane (PubChem CID 143355946) has the molecular formula C52H99N3 and a molecular weight of 766.38 g/mol. Its IUPAC name is (5S)-5-tert-butyl-4-methyl-3-methylideneoctane;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine;ethane.

Molecular Properties

• Compound Name: (5S)-5-tert-butyl-4-methyl-3-methylideneoctane;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine;ethane
• PubChem CID: 143355946
• Molecular Formula: C52H99N3
• Molecular Weight: 766.38 g/mol
• Exact Mass: 765.78
• IUPAC Name: (5S)-5-tert-butyl-4-methyl-3-methylideneoctane;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine;ethane
• SMILES: C=C(CC)C(C)[C@H](CCC)C(C)(C)C.C=C(CCCC)CCC(NC(=C)NC(C(=C)C)C1(C)CCCCC1)C(C)(C)C.C=C(N)C(=C)C(C)CC1CC1.CC
• InChI: InChI=1S/C26H48N2.C14H28.C10H17N.C2H6/c1-10-11-15-21(4)16-17-23(25(6,7)8)27-22(5)28-24(20(2)3)26(9)18-13-12-14-19-26;1-8-10-13(14(5,6)7)12(4)11(3)9-2;1-7(6-10-4-5-10)8(2)9(3)11;1-2/h23-24,27-28H,2,4-5,10-19H2,1,3,6-9H3;12-13H,3,8-10H2,1-2,4-7H3;7,10H,2-6,11H2,1H3;1-2H3/t;12?,13-;;/m.0../s1
• InChIKey: LTYCLPLHHSSISS-PZDRQDRSSA-N
• XLogP: 16.02
• TPSA: 50.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 21
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	766.38
LogP ≤ 5	16.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-tert-butyl-4-methyl-3-methylideneoctane;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine;ethane?

The IUPAC name of (5S)-5-tert-butyl-4-methyl-3-methylideneoctane;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine;ethane (CID 143355946) is (5S)-5-tert-butyl-4-methyl-3-methylideneoctane;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine;ethane.

What is the SMILES notation for (5S)-5-tert-butyl-4-methyl-3-methylideneoctane;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine;ethane?

The canonical SMILES for (5S)-5-tert-butyl-4-methyl-3-methylideneoctane;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine;ethane is C=C(CC)C(C)[C@H](CCC)C(C)(C)C.C=C(CCCC)CCC(NC(=C)NC(C(=C)C)C1(C)CCCCC1)C(C)(C)C.C=C(N)C(=C)C(C)CC1CC1.CC.

What is the InChIKey of (5S)-5-tert-butyl-4-methyl-3-methylideneoctane;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine;ethane?

The InChIKey is LTYCLPLHHSSISS-PZDRQDRSSA-N. The full InChI is InChI=1S/C26H48N2.C14H28.C10H17N.C2H6/c1-10-11-15-21(4)16-17-23(25(6,7)8)27-22(5)28-24(20(2)3)26(9)18-13-12-14-19-26;1-8-10-13(14(5,6)7)12(4)11(3)9-2;1-7(6-10-4-5-10)8(2)9(3)11;1-2/h23-24,27-28H,2,4-5,10-19H2,1,3,6-9H3;12-13H,3,8-10H2,1-2,4-7H3;7,10H,2-6,11H2,1H3;1-2H3/t;12?,13-;;/m.0../s1.

What are the key properties of (5S)-5-tert-butyl-4-methyl-3-methylideneoctane;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine;ethane?

(5S)-5-tert-butyl-4-methyl-3-methylideneoctane;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine;ethane has a molecular weight of 766.38 g/mol, XLogP of 16.02, 21 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-tert-butyl-4-methyl-3-methylideneoctane;5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethyl-6-methylidenedecan-3-yl)-1-N'-[2-methyl-1-(1-methylcyclohexyl)prop-2-enyl]ethene-1,1-diamine;ethane is sourced from PubChem (CID 143355946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).