ethane;1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine;5-methylhex-5-en-2-ylcyclohexane;4-methyl-3-methylidene-N-propyloct-1-en-7-yn-2-amine;propane;prop-1-ene

C56H102N2 — CID 143357600

About ethane;1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine;5-methylhex-5-en-2-ylcyclohexane;4-methyl-3-methylidene-N-propyloct-1-en-7-yn-2-amine;propane;prop-1-ene

ethane;1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine;5-methylhex-5-en-2-ylcyclohexane;4-methyl-3-methylidene-N-propyloct-1-en-7-yn-2-amine;propane;prop-1-ene (PubChem CID 143357600) has the molecular formula C56H102N2 and a molecular weight of 803.45 g/mol. Its IUPAC name is ethane;1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine;5-methylhex-5-en-2-ylcyclohexane;4-methyl-3-methylidene-N-propyloct-1-en-7-yn-2-amine;propane;prop-1-ene.

Molecular Properties

• Compound Name: ethane;1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine;5-methylhex-5-en-2-ylcyclohexane;4-methyl-3-methylidene-N-propyloct-1-en-7-yn-2-amine;propane;prop-1-ene
• PubChem CID: 143357600
• Molecular Formula: C56H102N2
• Molecular Weight: 803.45 g/mol
• Exact Mass: 802.80
• IUPAC Name: ethane;1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine;5-methylhex-5-en-2-ylcyclohexane;4-methyl-3-methylidene-N-propyloct-1-en-7-yn-2-amine;propane;prop-1-ene
• SMILES: C#CCCC(C)C(=C)C(=C)NCCC.C=C(C)CCC(C)C1CCCCC1.C=C(C)NC(C(=C)C1CC2C(C1C)C2(C)C)C1(C)CCCCC1.C=CC.CC.CCC
• InChI: InChI=1S/C22H37N.C13H21N.C13H24.C3H8.C3H6.C2H6/c1-14(2)23-20(22(7)11-9-8-10-12-22)16(4)17-13-18-19(15(17)3)21(18,5)6;1-6-8-9-11(3)12(4)13(5)14-10-7-2;1-11(2)9-10-12(3)13-7-5-4-6-8-13;2*1-3-2;1-2/h15,17-20,23H,1,4,8-13H2,2-3,5-7H3;1,11,14H,4-5,7-10H2,2-3H3;12-13H,1,4-10H2,2-3H3;3H2,1-2H3;3H,1H2,2H3;1-2H3
• InChIKey: HVLVLXCWPWVNCN-UHFFFAOYSA-N
• XLogP: 17.23
• TPSA: 24.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 16
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	803.45
LogP ≤ 5	17.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine;5-methylhex-5-en-2-ylcyclohexane;4-methyl-3-methylidene-N-propyloct-1-en-7-yn-2-amine;propane;prop-1-ene?

The IUPAC name of ethane;1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine;5-methylhex-5-en-2-ylcyclohexane;4-methyl-3-methylidene-N-propyloct-1-en-7-yn-2-amine;propane;prop-1-ene (CID 143357600) is ethane;1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine;5-methylhex-5-en-2-ylcyclohexane;4-methyl-3-methylidene-N-propyloct-1-en-7-yn-2-amine;propane;prop-1-ene.

What is the SMILES notation for ethane;1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine;5-methylhex-5-en-2-ylcyclohexane;4-methyl-3-methylidene-N-propyloct-1-en-7-yn-2-amine;propane;prop-1-ene?

The canonical SMILES for ethane;1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine;5-methylhex-5-en-2-ylcyclohexane;4-methyl-3-methylidene-N-propyloct-1-en-7-yn-2-amine;propane;prop-1-ene is C#CCCC(C)C(=C)C(=C)NCCC.C=C(C)CCC(C)C1CCCCC1.C=C(C)NC(C(=C)C1CC2C(C1C)C2(C)C)C1(C)CCCCC1.C=CC.CC.CCC.

What is the InChIKey of ethane;1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine;5-methylhex-5-en-2-ylcyclohexane;4-methyl-3-methylidene-N-propyloct-1-en-7-yn-2-amine;propane;prop-1-ene?

The InChIKey is HVLVLXCWPWVNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N.C13H21N.C13H24.C3H8.C3H6.C2H6/c1-14(2)23-20(22(7)11-9-8-10-12-22)16(4)17-13-18-19(15(17)3)21(18,5)6;1-6-8-9-11(3)12(4)13(5)14-10-7-2;1-11(2)9-10-12(3)13-7-5-4-6-8-13;2*1-3-2;1-2/h15,17-20,23H,1,4,8-13H2,2-3,5-7H3;1,11,14H,4-5,7-10H2,2-3H3;12-13H,1,4-10H2,2-3H3;3H2,1-2H3;3H,1H2,2H3;1-2H3.

What are the key properties of ethane;1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine;5-methylhex-5-en-2-ylcyclohexane;4-methyl-3-methylidene-N-propyloct-1-en-7-yn-2-amine;propane;prop-1-ene?

ethane;1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine;5-methylhex-5-en-2-ylcyclohexane;4-methyl-3-methylidene-N-propyloct-1-en-7-yn-2-amine;propane;prop-1-ene has a molecular weight of 803.45 g/mol, XLogP of 17.23, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine;5-methylhex-5-en-2-ylcyclohexane;4-methyl-3-methylidene-N-propyloct-1-en-7-yn-2-amine;propane;prop-1-ene is sourced from PubChem (CID 143357600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).