1-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;ethylcyclopropane;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;5-methyl-6,7-dimethylideneundeca-1,10-diene

C47H77N — CID 142268697

IUPAC1-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;ethylcyclopropane;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;5-methyl-6,7-dimethylideneundeca-1,10-diene
SMILESC=C(C)C(C)C1C(CC)C1(C)C.C=C(C)NC(C(=C)C)C1CC2C=CC=CC2C1.C=CCCC(=C)C(=C)C(C)CCC=C.CCC1CC1
InChIInChI=1S/C16H23N.C14H22.C12H22.C5H10/c1-11(2)16(17-12(3)4)15-9-13-7-5-6-8-14(13)10-15;1-6-8-10-12(3)14(5)13(4)11-9-7-2;1-7-10-11(12(10,5)6)9(4)8(2)3;1-2-5-3-4-5/h5-8,13-17H,1,3,9-10H2,2,4H3;6-7,13H,1-3,5,8-11H2,4H3;9-11H,2,7H2,1,3-6H3;5H,2-4H2,1H3
InChIKeyGFESKJINEOZSAO-UHFFFAOYSA-N
MW656.14 g/mol
LogP14.18
Rot. Bonds16

About 1-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;ethylcyclopropane;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;5-methyl-6,7-dimethylideneundeca-1,10-diene

1-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;ethylcyclopropane;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;5-methyl-6,7-dimethylideneundeca-1,10-diene (PubChem CID 142268697) has the molecular formula C47H77N and a molecular weight of 656.14 g/mol. Its IUPAC name is 1-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;ethylcyclopropane;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;5-methyl-6,7-dimethylideneundeca-1,10-diene.

Molecular Properties

Compound Name1-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;ethylcyclopropane;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;5-methyl-6,7-dimethylideneundeca-1,10-diene
PubChem CID142268697
Molecular FormulaC47H77N
Molecular Weight656.14 g/mol
Exact Mass655.61
IUPAC Name1-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;ethylcyclopropane;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;5-methyl-6,7-dimethylideneundeca-1,10-diene
SMILESC=C(C)C(C)C1C(CC)C1(C)C.C=C(C)NC(C(=C)C)C1CC2C=CC=CC2C1.C=CCCC(=C)C(=C)C(C)CCC=C.CCC1CC1
InChIInChI=1S/C16H23N.C14H22.C12H22.C5H10/c1-11(2)16(17-12(3)4)15-9-13-7-5-6-8-14(13)10-15;1-6-8-10-12(3)14(5)13(4)11-9-7-2;1-7-10-11(12(10,5)6)9(4)8(2)3;1-2-5-3-4-5/h5-8,13-17H,1,3,9-10H2,2,4H3;6-7,13H,1-3,5,8-11H2,4H3;9-11H,2,7H2,1,3-6H3;5H,2-4H2,1H3
InChIKeyGFESKJINEOZSAO-UHFFFAOYSA-N
XLogP14.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.14
LogP ≤ 514.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;ethylcyclopropane;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;5-methyl-6,7-dimethylideneundeca-1,10-diene with MolForge

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Launch Full Analysis

Related Compounds

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
1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;1,2-dimethylcyclopentane;ethane;N-ethenylprop-2-en-1-amine;N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-2-methylhex-1-en-3-amine
CID 142268643
1-cyclobutyl-N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-4-methyl-3-methylidenepent-4-en-2-amine
CID 143358628
5-methyl-6,7-dimethylidenenon-1-ene
CID 142109737
1-(4-ethylcyclohexyl)pent-4-en-1-ol
CID 65392687
5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;6-(3-ethyl-2,2-dimethylcyclopropyl)-2,2,5-trimethyl-4,7-dimethylidene-N-prop-1-en-2-ylnon-8-en-3-amine;4-methylidenehexylcyclopentane
CID 143358126
2-N-[[(1S,3R)-2,2-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropyl]methyl]-2-N-methyl-1-(1-methylcyclohexyl)-1-N-[1-(3-methylheptan-4-ylamino)ethenyl]prop-2-ene-1,2-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane;ethane;methane
CID 143352518
6-but-3-enyl-2-(2,3-dihydro-1H-inden-2-yl)-5-(3-ethyl-2,2-dimethylcyclopropyl)-7-methylidenedec-9-ene-3-thione
CID 142110070
(3R)-3-[(1S,3S)-3-ethyl-2,2-dimethylcyclopropyl]-4-methylidenehept-6-en-2-one
CID 143362675
1-[6-[1-(4-ethylcyclohexyl)ethyl]-4a,5,6,7,8,8a-hexahydronaphthalen-2-yl]prop-2-en-1-one
CID 89276881
2-methylhex-5-enylcyclohexane
CID 142828676
2-methylidene-N-propan-2-ylhex-5-enamide
CID 14418381

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;ethylcyclopropane;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;5-methyl-6,7-dimethylideneundeca-1,10-diene?
The IUPAC name of 1-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;ethylcyclopropane;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;5-methyl-6,7-dimethylideneundeca-1,10-diene (CID 142268697) is 1-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;ethylcyclopropane;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;5-methyl-6,7-dimethylideneundeca-1,10-diene.
What is the SMILES notation for 1-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;ethylcyclopropane;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;5-methyl-6,7-dimethylideneundeca-1,10-diene?
The canonical SMILES for 1-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;ethylcyclopropane;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;5-methyl-6,7-dimethylideneundeca-1,10-diene is C=C(C)C(C)C1C(CC)C1(C)C.C=C(C)NC(C(=C)C)C1CC2C=CC=CC2C1.C=CCCC(=C)C(=C)C(C)CCC=C.CCC1CC1.
What is the InChIKey of 1-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;ethylcyclopropane;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;5-methyl-6,7-dimethylideneundeca-1,10-diene?
The InChIKey is GFESKJINEOZSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N.C14H22.C12H22.C5H10/c1-11(2)16(17-12(3)4)15-9-13-7-5-6-8-14(13)10-15;1-6-8-10-12(3)14(5)13(4)11-9-7-2;1-7-10-11(12(10,5)6)9(4)8(2)3;1-2-5-3-4-5/h5-8,13-17H,1,3,9-10H2,2,4H3;6-7,13H,1-3,5,8-11H2,4H3;9-11H,2,7H2,1,3-6H3;5H,2-4H2,1H3.
What are the key properties of 1-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;ethylcyclopropane;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;5-methyl-6,7-dimethylideneundeca-1,10-diene?
1-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;ethylcyclopropane;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;5-methyl-6,7-dimethylideneundeca-1,10-diene has a molecular weight of 656.14 g/mol, XLogP of 14.18, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;ethylcyclopropane;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;5-methyl-6,7-dimethylideneundeca-1,10-diene is sourced from PubChem (CID 142268697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).