2,3-dimethylbut-1-ene;2-(3-methyl-4-methylideneheptyl)cyclohexa-1,3-diene;1-methyl-2-propylcyclopentan-1-amine;prop-1-ene

C33H61N — CID 143682122

IUPAC2,3-dimethylbut-1-ene;2-(3-methyl-4-methylideneheptyl)cyclohexa-1,3-diene;1-methyl-2-propylcyclopentan-1-amine;prop-1-ene
SMILESC=C(C)C(C)C.C=C(CCC)C(C)CCC1=CCCC=C1.C=CC.CCCC1CCCC1(C)N
InChIInChI=1S/C15H24.C9H19N.C6H12.C3H6/c1-4-8-13(2)14(3)11-12-15-9-6-5-7-10-15;1-3-5-8-6-4-7-9(8,2)10;1-5(2)6(3)4;1-3-2/h6,9-10,14H,2,4-5,7-8,11-12H2,1,3H3;8H,3-7,10H2,1-2H3;6H,1H2,2-4H3;3H,1H2,2H3
InChIKeyYKIPRPLFNZSARY-UHFFFAOYSA-N
MW471.86 g/mol
LogP10.75
Rot. Bonds9

About 2,3-dimethylbut-1-ene;2-(3-methyl-4-methylideneheptyl)cyclohexa-1,3-diene;1-methyl-2-propylcyclopentan-1-amine;prop-1-ene

2,3-dimethylbut-1-ene;2-(3-methyl-4-methylideneheptyl)cyclohexa-1,3-diene;1-methyl-2-propylcyclopentan-1-amine;prop-1-ene (PubChem CID 143682122) has the molecular formula C33H61N and a molecular weight of 471.86 g/mol. Its IUPAC name is 2,3-dimethylbut-1-ene;2-(3-methyl-4-methylideneheptyl)cyclohexa-1,3-diene;1-methyl-2-propylcyclopentan-1-amine;prop-1-ene.

Molecular Properties

Compound Name2,3-dimethylbut-1-ene;2-(3-methyl-4-methylideneheptyl)cyclohexa-1,3-diene;1-methyl-2-propylcyclopentan-1-amine;prop-1-ene
PubChem CID143682122
Molecular FormulaC33H61N
Molecular Weight471.86 g/mol
Exact Mass471.48
IUPAC Name2,3-dimethylbut-1-ene;2-(3-methyl-4-methylideneheptyl)cyclohexa-1,3-diene;1-methyl-2-propylcyclopentan-1-amine;prop-1-ene
SMILESC=C(C)C(C)C.C=C(CCC)C(C)CCC1=CCCC=C1.C=CC.CCCC1CCCC1(C)N
InChIInChI=1S/C15H24.C9H19N.C6H12.C3H6/c1-4-8-13(2)14(3)11-12-15-9-6-5-7-10-15;1-3-5-8-6-4-7-9(8,2)10;1-5(2)6(3)4;1-3-2/h6,9-10,14H,2,4-5,7-8,11-12H2,1,3H3;8H,3-7,10H2,1-2H3;6H,1H2,2-4H3;3H,1H2,2H3
InChIKeyYKIPRPLFNZSARY-UHFFFAOYSA-N
XLogP10.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.86
LogP ≤ 510.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbut-1-ene;2-(3-methyl-4-methylideneheptyl)cyclohexa-1,3-diene;1-methyl-2-propylcyclopentan-1-amine;prop-1-ene?
The IUPAC name of 2,3-dimethylbut-1-ene;2-(3-methyl-4-methylideneheptyl)cyclohexa-1,3-diene;1-methyl-2-propylcyclopentan-1-amine;prop-1-ene (CID 143682122) is 2,3-dimethylbut-1-ene;2-(3-methyl-4-methylideneheptyl)cyclohexa-1,3-diene;1-methyl-2-propylcyclopentan-1-amine;prop-1-ene.
What is the SMILES notation for 2,3-dimethylbut-1-ene;2-(3-methyl-4-methylideneheptyl)cyclohexa-1,3-diene;1-methyl-2-propylcyclopentan-1-amine;prop-1-ene?
The canonical SMILES for 2,3-dimethylbut-1-ene;2-(3-methyl-4-methylideneheptyl)cyclohexa-1,3-diene;1-methyl-2-propylcyclopentan-1-amine;prop-1-ene is C=C(C)C(C)C.C=C(CCC)C(C)CCC1=CCCC=C1.C=CC.CCCC1CCCC1(C)N.
What is the InChIKey of 2,3-dimethylbut-1-ene;2-(3-methyl-4-methylideneheptyl)cyclohexa-1,3-diene;1-methyl-2-propylcyclopentan-1-amine;prop-1-ene?
The InChIKey is YKIPRPLFNZSARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24.C9H19N.C6H12.C3H6/c1-4-8-13(2)14(3)11-12-15-9-6-5-7-10-15;1-3-5-8-6-4-7-9(8,2)10;1-5(2)6(3)4;1-3-2/h6,9-10,14H,2,4-5,7-8,11-12H2,1,3H3;8H,3-7,10H2,1-2H3;6H,1H2,2-4H3;3H,1H2,2H3.
What are the key properties of 2,3-dimethylbut-1-ene;2-(3-methyl-4-methylideneheptyl)cyclohexa-1,3-diene;1-methyl-2-propylcyclopentan-1-amine;prop-1-ene?
2,3-dimethylbut-1-ene;2-(3-methyl-4-methylideneheptyl)cyclohexa-1,3-diene;1-methyl-2-propylcyclopentan-1-amine;prop-1-ene has a molecular weight of 471.86 g/mol, XLogP of 10.75, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbut-1-ene;2-(3-methyl-4-methylideneheptyl)cyclohexa-1,3-diene;1-methyl-2-propylcyclopentan-1-amine;prop-1-ene is sourced from PubChem (CID 143682122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).