ethane;(2-methyl-3-methylidenepent-4-enyl)cyclobutane;1-N-methyl-1-N'-(2,2,5-trimethylhex-5-en-3-yl)ethene-1,1-diamine;propane;N-prop-1-en-2-ylpropan-1-amine;(5S)-2,3,4,5-tetramethylhept-1-ene;2,2,3-trimethylpentane

C63H139N3 — CID 143357332

About ethane;(2-methyl-3-methylidenepent-4-enyl)cyclobutane;1-N-methyl-1-N'-(2,2,5-trimethylhex-5-en-3-yl)ethene-1,1-diamine;propane;N-prop-1-en-2-ylpropan-1-amine;(5S)-2,3,4,5-tetramethylhept-1-ene;2,2,3-trimethylpentane

ethane;(2-methyl-3-methylidenepent-4-enyl)cyclobutane;1-N-methyl-1-N'-(2,2,5-trimethylhex-5-en-3-yl)ethene-1,1-diamine;propane;N-prop-1-en-2-ylpropan-1-amine;(5S)-2,3,4,5-tetramethylhept-1-ene;2,2,3-trimethylpentane (PubChem CID 143357332) has the molecular formula C63H139N3 and a molecular weight of 938.83 g/mol. Its IUPAC name is ethane;(2-methyl-3-methylidenepent-4-enyl)cyclobutane;1-N-methyl-1-N'-(2,2,5-trimethylhex-5-en-3-yl)ethene-1,1-diamine;propane;N-prop-1-en-2-ylpropan-1-amine;(5S)-2,3,4,5-tetramethylhept-1-ene;2,2,3-trimethylpentane.

Molecular Properties

• Compound Name: ethane;(2-methyl-3-methylidenepent-4-enyl)cyclobutane;1-N-methyl-1-N'-(2,2,5-trimethylhex-5-en-3-yl)ethene-1,1-diamine;propane;N-prop-1-en-2-ylpropan-1-amine;(5S)-2,3,4,5-tetramethylhept-1-ene;2,2,3-trimethylpentane
• PubChem CID: 143357332
• Molecular Formula: C63H139N3
• Molecular Weight: 938.83 g/mol
• Exact Mass: 938.10
• IUPAC Name: ethane;(2-methyl-3-methylidenepent-4-enyl)cyclobutane;1-N-methyl-1-N'-(2,2,5-trimethylhex-5-en-3-yl)ethene-1,1-diamine;propane;N-prop-1-en-2-ylpropan-1-amine;(5S)-2,3,4,5-tetramethylhept-1-ene;2,2,3-trimethylpentane
• SMILES: C=C(C)C(C)C(C)[C@@H](C)CC.C=C(C)CC(NC(=C)NC)C(C)(C)C.C=C(C)NCCC.C=CC(=C)C(C)CC1CCC1.CC.CC.CC.CC.CC.CC.CCC.CCC(C)C(C)(C)C
• InChI: InChI=1S/C12H24N2.C11H18.C11H22.C8H18.C6H13N.C3H8.6C2H6/c1-9(2)8-11(12(4,5)6)14-10(3)13-7;1-4-9(2)10(3)8-11-6-5-7-11;1-7-9(4)11(6)10(5)8(2)3;1-6-7(2)8(3,4)5;1-4-5-7-6(2)3;1-3-2;6*1-2/h11,13-14H,1,3,8H2,2,4-7H3;4,10-11H,1-2,5-8H2,3H3;9-11H,2,7H2,1,3-6H3;7H,6H2,1-5H3;7H,2,4-5H2,1,3H3;3H2,1-2H3;6*1-2H3/t;;9-,10?,11?;;;;;;;;;/m..0........./s1
• InChIKey: MODVAJHSONFYNN-YXGWGXRFSA-N
• XLogP: 22.25
• TPSA: 36.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 17
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	938.83
LogP ≤ 5	22.25
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 ethane;(2-methyl-3-methylidenepent-4-enyl)cyclobutane;1-N-methyl-1-N'-(2,2,5-trimethylhex-5-en-3-yl)ethene-1,1-diamine;propane;N-prop-1-en-2-ylpropan-1-amine;(5S)-2,3,4,5-tetramethylhept-1-ene;2,2,3-trimethylpentane?

The IUPAC name of ethane;(2-methyl-3-methylidenepent-4-enyl)cyclobutane;1-N-methyl-1-N'-(2,2,5-trimethylhex-5-en-3-yl)ethene-1,1-diamine;propane;N-prop-1-en-2-ylpropan-1-amine;(5S)-2,3,4,5-tetramethylhept-1-ene;2,2,3-trimethylpentane (CID 143357332) is ethane;(2-methyl-3-methylidenepent-4-enyl)cyclobutane;1-N-methyl-1-N'-(2,2,5-trimethylhex-5-en-3-yl)ethene-1,1-diamine;propane;N-prop-1-en-2-ylpropan-1-amine;(5S)-2,3,4,5-tetramethylhept-1-ene;2,2,3-trimethylpentane.

What is the SMILES notation for ethane;(2-methyl-3-methylidenepent-4-enyl)cyclobutane;1-N-methyl-1-N'-(2,2,5-trimethylhex-5-en-3-yl)ethene-1,1-diamine;propane;N-prop-1-en-2-ylpropan-1-amine;(5S)-2,3,4,5-tetramethylhept-1-ene;2,2,3-trimethylpentane?

The canonical SMILES for ethane;(2-methyl-3-methylidenepent-4-enyl)cyclobutane;1-N-methyl-1-N'-(2,2,5-trimethylhex-5-en-3-yl)ethene-1,1-diamine;propane;N-prop-1-en-2-ylpropan-1-amine;(5S)-2,3,4,5-tetramethylhept-1-ene;2,2,3-trimethylpentane is C=C(C)C(C)C(C)[C@@H](C)CC.C=C(C)CC(NC(=C)NC)C(C)(C)C.C=C(C)NCCC.C=CC(=C)C(C)CC1CCC1.CC.CC.CC.CC.CC.CC.CCC.CCC(C)C(C)(C)C.

What is the InChIKey of ethane;(2-methyl-3-methylidenepent-4-enyl)cyclobutane;1-N-methyl-1-N'-(2,2,5-trimethylhex-5-en-3-yl)ethene-1,1-diamine;propane;N-prop-1-en-2-ylpropan-1-amine;(5S)-2,3,4,5-tetramethylhept-1-ene;2,2,3-trimethylpentane?

The InChIKey is MODVAJHSONFYNN-YXGWGXRFSA-N. The full InChI is InChI=1S/C12H24N2.C11H18.C11H22.C8H18.C6H13N.C3H8.6C2H6/c1-9(2)8-11(12(4,5)6)14-10(3)13-7;1-4-9(2)10(3)8-11-6-5-7-11;1-7-9(4)11(6)10(5)8(2)3;1-6-7(2)8(3,4)5;1-4-5-7-6(2)3;1-3-2;6*1-2/h11,13-14H,1,3,8H2,2,4-7H3;4,10-11H,1-2,5-8H2,3H3;9-11H,2,7H2,1,3-6H3;7H,6H2,1-5H3;7H,2,4-5H2,1,3H3;3H2,1-2H3;6*1-2H3/t;;9-,10?,11?;;;;;;;;;/m..0........./s1.

What are the key properties of ethane;(2-methyl-3-methylidenepent-4-enyl)cyclobutane;1-N-methyl-1-N'-(2,2,5-trimethylhex-5-en-3-yl)ethene-1,1-diamine;propane;N-prop-1-en-2-ylpropan-1-amine;(5S)-2,3,4,5-tetramethylhept-1-ene;2,2,3-trimethylpentane?

ethane;(2-methyl-3-methylidenepent-4-enyl)cyclobutane;1-N-methyl-1-N'-(2,2,5-trimethylhex-5-en-3-yl)ethene-1,1-diamine;propane;N-prop-1-en-2-ylpropan-1-amine;(5S)-2,3,4,5-tetramethylhept-1-ene;2,2,3-trimethylpentane has a molecular weight of 938.83 g/mol, XLogP of 22.25, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;(2-methyl-3-methylidenepent-4-enyl)cyclobutane;1-N-methyl-1-N'-(2,2,5-trimethylhex-5-en-3-yl)ethene-1,1-diamine;propane;N-prop-1-en-2-ylpropan-1-amine;(5S)-2,3,4,5-tetramethylhept-1-ene;2,2,3-trimethylpentane is sourced from PubChem (CID 143357332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).