but-1-ene;1-cyclopentyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;7-methyl-5,6-dimethylidenedec-1-ene

C41H73N — CID 142268322

About but-1-ene;1-cyclopentyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;7-methyl-5,6-dimethylidenedec-1-ene

but-1-ene;1-cyclopentyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;7-methyl-5,6-dimethylidenedec-1-ene (PubChem CID 142268322) has the molecular formula C41H73N and a molecular weight of 580.04 g/mol. Its IUPAC name is but-1-ene;1-cyclopentyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;7-methyl-5,6-dimethylidenedec-1-ene.

Molecular Properties

• Compound Name: but-1-ene;1-cyclopentyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;7-methyl-5,6-dimethylidenedec-1-ene
• PubChem CID: 142268322
• Molecular Formula: C41H73N
• Molecular Weight: 580.04 g/mol
• Exact Mass: 579.57
• IUPAC Name: but-1-ene;1-cyclopentyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;7-methyl-5,6-dimethylidenedec-1-ene
• SMILES: C=C(C)C(C)C1C(CC)C1(C)C.C=C(C)NC(C(=C)C)C1CCCC1.C=CCC.C=CCCC(=C)C(=C)C(C)CCC
• InChI: InChI=1S/C13H22.C12H21N.C12H22.C4H8/c1-6-8-10-12(4)13(5)11(3)9-7-2;1-9(2)12(13-10(3)4)11-7-5-6-8-11;1-7-10-11(12(10,5)6)9(4)8(2)3;1-3-4-2/h6,11H,1,4-5,7-10H2,2-3H3;11-13H,1,3,5-8H2,2,4H3;9-11H,2,7H2,1,3-6H3;3H,1,4H2,2H3
• InChIKey: LTOWSRJLLMFITC-UHFFFAOYSA-N
• XLogP: 13.21
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 15
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.04
LogP ≤ 5	13.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

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 but-1-ene;1-cyclopentyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;7-methyl-5,6-dimethylidenedec-1-ene?

The IUPAC name of but-1-ene;1-cyclopentyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;7-methyl-5,6-dimethylidenedec-1-ene (CID 142268322) is but-1-ene;1-cyclopentyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;7-methyl-5,6-dimethylidenedec-1-ene.

What is the SMILES notation for but-1-ene;1-cyclopentyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;7-methyl-5,6-dimethylidenedec-1-ene?

The canonical SMILES for but-1-ene;1-cyclopentyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;7-methyl-5,6-dimethylidenedec-1-ene is C=C(C)C(C)C1C(CC)C1(C)C.C=C(C)NC(C(=C)C)C1CCCC1.C=CCC.C=CCCC(=C)C(=C)C(C)CCC.

What is the InChIKey of but-1-ene;1-cyclopentyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;7-methyl-5,6-dimethylidenedec-1-ene?

The InChIKey is LTOWSRJLLMFITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22.C12H21N.C12H22.C4H8/c1-6-8-10-12(4)13(5)11(3)9-7-2;1-9(2)12(13-10(3)4)11-7-5-6-8-11;1-7-10-11(12(10,5)6)9(4)8(2)3;1-3-4-2/h6,11H,1,4-5,7-10H2,2-3H3;11-13H,1,3,5-8H2,2,4H3;9-11H,2,7H2,1,3-6H3;3H,1,4H2,2H3.

What are the key properties of but-1-ene;1-cyclopentyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;7-methyl-5,6-dimethylidenedec-1-ene?

but-1-ene;1-cyclopentyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;7-methyl-5,6-dimethylidenedec-1-ene has a molecular weight of 580.04 g/mol, XLogP of 13.21, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for but-1-ene;1-cyclopentyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;7-methyl-5,6-dimethylidenedec-1-ene is sourced from PubChem (CID 142268322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).