2,4-dimethylpent-1-ene;ethenamine;3-methylbut-3-en-2-ylcyclohexane;methylcyclobutane;4-methyl-3-methylidene-5-(2,2,3-trimethylcyclopropyl)hex-1-en-2-amine;propane

C42H82N2 — CID 142110052

IUPAC2,4-dimethylpent-1-ene;ethenamine;3-methylbut-3-en-2-ylcyclohexane;methylcyclobutane;4-methyl-3-methylidene-5-(2,2,3-trimethylcyclopropyl)hex-1-en-2-amine;propane
SMILESC=C(C)C(C)C1CCCCC1.C=C(C)CC(C)C.C=C(N)C(=C)C(C)C(C)C1C(C)C1(C)C.C=CN.CC1CCC1.CCC
InChIInChI=1S/C14H25N.C11H20.C7H14.C5H10.C3H8.C2H5N/c1-8(9(2)12(5)15)10(3)13-11(4)14(13,6)7;1-9(2)10(3)11-7-5-4-6-8-11;1-6(2)5-7(3)4;1-5-3-2-4-5;1-3-2;1-2-3/h8,10-11,13H,2,5,15H2,1,3-4,6-7H3;10-11H,1,4-8H2,2-3H3;7H,1,5H2,2-4H3;5H,2-4H2,1H3;3H2,1-2H3;2H,1,3H2
InChIKeyYOQXXKSTRYAUDZ-UHFFFAOYSA-N
MW615.13 g/mol
LogP13.28
Rot. Bonds8

About 2,4-dimethylpent-1-ene;ethenamine;3-methylbut-3-en-2-ylcyclohexane;methylcyclobutane;4-methyl-3-methylidene-5-(2,2,3-trimethylcyclopropyl)hex-1-en-2-amine;propane

2,4-dimethylpent-1-ene;ethenamine;3-methylbut-3-en-2-ylcyclohexane;methylcyclobutane;4-methyl-3-methylidene-5-(2,2,3-trimethylcyclopropyl)hex-1-en-2-amine;propane (PubChem CID 142110052) has the molecular formula C42H82N2 and a molecular weight of 615.13 g/mol. Its IUPAC name is 2,4-dimethylpent-1-ene;ethenamine;3-methylbut-3-en-2-ylcyclohexane;methylcyclobutane;4-methyl-3-methylidene-5-(2,2,3-trimethylcyclopropyl)hex-1-en-2-amine;propane.

Molecular Properties

Compound Name2,4-dimethylpent-1-ene;ethenamine;3-methylbut-3-en-2-ylcyclohexane;methylcyclobutane;4-methyl-3-methylidene-5-(2,2,3-trimethylcyclopropyl)hex-1-en-2-amine;propane
PubChem CID142110052
Molecular FormulaC42H82N2
Molecular Weight615.13 g/mol
Exact Mass614.65
IUPAC Name2,4-dimethylpent-1-ene;ethenamine;3-methylbut-3-en-2-ylcyclohexane;methylcyclobutane;4-methyl-3-methylidene-5-(2,2,3-trimethylcyclopropyl)hex-1-en-2-amine;propane
SMILESC=C(C)C(C)C1CCCCC1.C=C(C)CC(C)C.C=C(N)C(=C)C(C)C(C)C1C(C)C1(C)C.C=CN.CC1CCC1.CCC
InChIInChI=1S/C14H25N.C11H20.C7H14.C5H10.C3H8.C2H5N/c1-8(9(2)12(5)15)10(3)13-11(4)14(13,6)7;1-9(2)10(3)11-7-5-4-6-8-11;1-6(2)5-7(3)4;1-5-3-2-4-5;1-3-2;1-2-3/h8,10-11,13H,2,5,15H2,1,3-4,6-7H3;10-11H,1,4-8H2,2-3H3;7H,1,5H2,2-4H3;5H,2-4H2,1H3;3H2,1-2H3;2H,1,3H2
InChIKeyYOQXXKSTRYAUDZ-UHFFFAOYSA-N
XLogP13.28
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.13
LogP ≤ 513.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4-dimethylpent-1-ene;ethenamine;3-methylbut-3-en-2-ylcyclohexane;methylcyclobutane;4-methyl-3-methylidene-5-(2,2,3-trimethylcyclopropyl)hex-1-en-2-amine;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpent-1-ene;ethenamine;3-methylbut-3-en-2-ylcyclohexane;methylcyclobutane;4-methyl-3-methylidene-5-(2,2,3-trimethylcyclopropyl)hex-1-en-2-amine;propane?
The IUPAC name of 2,4-dimethylpent-1-ene;ethenamine;3-methylbut-3-en-2-ylcyclohexane;methylcyclobutane;4-methyl-3-methylidene-5-(2,2,3-trimethylcyclopropyl)hex-1-en-2-amine;propane (CID 142110052) is 2,4-dimethylpent-1-ene;ethenamine;3-methylbut-3-en-2-ylcyclohexane;methylcyclobutane;4-methyl-3-methylidene-5-(2,2,3-trimethylcyclopropyl)hex-1-en-2-amine;propane.
What is the SMILES notation for 2,4-dimethylpent-1-ene;ethenamine;3-methylbut-3-en-2-ylcyclohexane;methylcyclobutane;4-methyl-3-methylidene-5-(2,2,3-trimethylcyclopropyl)hex-1-en-2-amine;propane?
The canonical SMILES for 2,4-dimethylpent-1-ene;ethenamine;3-methylbut-3-en-2-ylcyclohexane;methylcyclobutane;4-methyl-3-methylidene-5-(2,2,3-trimethylcyclopropyl)hex-1-en-2-amine;propane is C=C(C)C(C)C1CCCCC1.C=C(C)CC(C)C.C=C(N)C(=C)C(C)C(C)C1C(C)C1(C)C.C=CN.CC1CCC1.CCC.
What is the InChIKey of 2,4-dimethylpent-1-ene;ethenamine;3-methylbut-3-en-2-ylcyclohexane;methylcyclobutane;4-methyl-3-methylidene-5-(2,2,3-trimethylcyclopropyl)hex-1-en-2-amine;propane?
The InChIKey is YOQXXKSTRYAUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N.C11H20.C7H14.C5H10.C3H8.C2H5N/c1-8(9(2)12(5)15)10(3)13-11(4)14(13,6)7;1-9(2)10(3)11-7-5-4-6-8-11;1-6(2)5-7(3)4;1-5-3-2-4-5;1-3-2;1-2-3/h8,10-11,13H,2,5,15H2,1,3-4,6-7H3;10-11H,1,4-8H2,2-3H3;7H,1,5H2,2-4H3;5H,2-4H2,1H3;3H2,1-2H3;2H,1,3H2.
What are the key properties of 2,4-dimethylpent-1-ene;ethenamine;3-methylbut-3-en-2-ylcyclohexane;methylcyclobutane;4-methyl-3-methylidene-5-(2,2,3-trimethylcyclopropyl)hex-1-en-2-amine;propane?
2,4-dimethylpent-1-ene;ethenamine;3-methylbut-3-en-2-ylcyclohexane;methylcyclobutane;4-methyl-3-methylidene-5-(2,2,3-trimethylcyclopropyl)hex-1-en-2-amine;propane has a molecular weight of 615.13 g/mol, XLogP of 13.28, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpent-1-ene;ethenamine;3-methylbut-3-en-2-ylcyclohexane;methylcyclobutane;4-methyl-3-methylidene-5-(2,2,3-trimethylcyclopropyl)hex-1-en-2-amine;propane is sourced from PubChem (CID 142110052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).