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

C46H80N2 — CID 143358126

IUPAC5-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
SMILESC=C(CC)CCCC1CCCC1.C=C(N)C(=C)C(C)CC1CC1.C=CC(=C)C(C(C)C(=C)C(NC(=C)C)C(C)(C)C)C1C(CC)C1(C)C
InChIInChI=1S/C24H41N.C12H22.C10H17N/c1-13-16(5)20(21-19(14-2)24(21,11)12)17(6)18(7)22(23(8,9)10)25-15(3)4;1-3-11(2)7-6-10-12-8-4-5-9-12;1-7(6-10-4-5-10)8(2)9(3)11/h13,17,19-22,25H,1,3,5,7,14H2,2,4,6,8-12H3;12H,2-10H2,1H3;7,10H,2-6,11H2,1H3
InChIKeyDIGOOBCGFWZQLQ-UHFFFAOYSA-N
MW661.16 g/mol
LogP13.52
Rot. Bonds18

About 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

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 (PubChem CID 143358126) has the molecular formula C46H80N2 and a molecular weight of 661.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID143358126
Molecular FormulaC46H80N2
Molecular Weight661.16 g/mol
Exact Mass660.63
IUPAC Name5-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
SMILESC=C(CC)CCCC1CCCC1.C=C(N)C(=C)C(C)CC1CC1.C=CC(=C)C(C(C)C(=C)C(NC(=C)C)C(C)(C)C)C1C(CC)C1(C)C
InChIInChI=1S/C24H41N.C12H22.C10H17N/c1-13-16(5)20(21-19(14-2)24(21,11)12)17(6)18(7)22(23(8,9)10)25-15(3)4;1-3-11(2)7-6-10-12-8-4-5-9-12;1-7(6-10-4-5-10)8(2)9(3)11/h13,17,19-22,25H,1,3,5,7,14H2,2,4,6,8-12H3;12H,2-10H2,1H3;7,10H,2-6,11H2,1H3
InChIKeyDIGOOBCGFWZQLQ-UHFFFAOYSA-N
XLogP13.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.16
LogP ≤ 513.52
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 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 with MolForge

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Launch Full Analysis

Related Compounds

1-cyclobutyl-N-[3-(3-ethyl-2,2-dimethylcyclopropyl)but-1-en-2-yl]-4-methyl-3-methylidenepent-4-en-2-amine
CID 143358628
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-cyclopentyl-4-methylidenehexan-2-amine
CID 105006054
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
3-amino-4-cyclobutyl-2-oxobutanamide;1-[6-[(1S,3R)-2,2-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropyl]-2,2-dimethyl-4-oxohexan-3-yl]-3-[1-(1-phenylethenoxymethyl)cyclohexyl]urea
CID 143105202
2,2-dimethylheptan-1-amine;3-[(1S)-2,2-dimethyl-3-[(prop-1-en-2-ylamino)methyl]cyclopropyl]butan-2-one;ethane;3-methylbuta-1,3-dien-2-amine;2-methyl-N-prop-1-en-2-ylhexan-3-amine;propane;propylcyclobutane
CID 143362563
4-(cyclobutylmethyl)-3-methylidenehex-1-en-2-amine;N,3-dimethylbut-1-en-2-amine;N-[[(1S,3R)-2,2-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropyl]methyl]-N,4,4-trimethyl-3-[1-(2,3,3-trimethylbutylamino)ethenylamino]pentanamide;ethane
CID 143362551
4-cyclohexyl-N-[(2R)-1-hydrazinyl-1,4-dioxopentan-2-yl]butanamide
CID 162387943
8-cyclopropyl-2,2-dimethyl-6-methylidene-N-prop-1-en-2-yloctan-3-amine
CID 143358033
(2S,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-3,3-dimethyl-2-(prop-2-enoylamino)butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 174186026
N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-[3,3-dimethyl-2-(prop-1-en-2-ylcarbamoylamino)butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 67585687
N-(4-amino-1-cyclopropyl-3-methylidenepent-4-en-2-yl)-1-[3,3-dimethyl-2-[[1-(1-phenylmethoxyethenyl)cyclohexyl]carbamoylamino]butanoyl]pyrrolidine-2-carboxamide
CID 143101891

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(CC)CCCC1CCCC1.C=C(N)C(=C)C(C)CC1CC1.C=CC(=C)C(C(C)C(=C)C(NC(=C)C)C(C)(C)C)C1C(CC)C1(C)C.
What is the InChIKey of 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?
The InChIKey is DIGOOBCGFWZQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N.C12H22.C10H17N/c1-13-16(5)20(21-19(14-2)24(21,11)12)17(6)18(7)22(23(8,9)10)25-15(3)4;1-3-11(2)7-6-10-12-8-4-5-9-12;1-7(6-10-4-5-10)8(2)9(3)11/h13,17,19-22,25H,1,3,5,7,14H2,2,4,6,8-12H3;12H,2-10H2,1H3;7,10H,2-6,11H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 661.16 g/mol, XLogP of 13.52, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143358126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).