ethane;5-ethenyl-6-ethyl-2-ethynyl-2-methyl-3,4-dihydro-1H-pyridine;3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine

C34H59N3 — CID 143346852

IUPACethane;5-ethenyl-6-ethyl-2-ethynyl-2-methyl-3,4-dihydro-1H-pyridine;3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine
SMILESC#CC1(C)CCC(C=C)=C(CC)N1.C=C(NCC(C)C)C(=C)C1C(C)C=C(CC)C1/N=C/C.CC.CC
InChIInChI=1S/C18H30N2.C12H17N.2C2H6/c1-8-16-10-13(5)17(18(16)19-9-2)14(6)15(7)20-11-12(3)4;1-5-10-8-9-12(4,7-3)13-11(10)6-2;2*1-2/h9-10,12-13,17-18,20H,6-8,11H2,1-5H3;3,5,13H,1,6,8-9H2,2,4H3;2*1-2H3/b19-9+;;;
InChIKeyKDRDBTRGSMHMSV-PWVZHKMWSA-N
MW509.87 g/mol
LogP9.03
Rot. Bonds9

About ethane;5-ethenyl-6-ethyl-2-ethynyl-2-methyl-3,4-dihydro-1H-pyridine;3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine

ethane;5-ethenyl-6-ethyl-2-ethynyl-2-methyl-3,4-dihydro-1H-pyridine;3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine (PubChem CID 143346852) has the molecular formula C34H59N3 and a molecular weight of 509.87 g/mol. Its IUPAC name is ethane;5-ethenyl-6-ethyl-2-ethynyl-2-methyl-3,4-dihydro-1H-pyridine;3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine.

Molecular Properties

Compound Nameethane;5-ethenyl-6-ethyl-2-ethynyl-2-methyl-3,4-dihydro-1H-pyridine;3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine
PubChem CID143346852
Molecular FormulaC34H59N3
Molecular Weight509.87 g/mol
Exact Mass509.47
IUPAC Nameethane;5-ethenyl-6-ethyl-2-ethynyl-2-methyl-3,4-dihydro-1H-pyridine;3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine
SMILESC#CC1(C)CCC(C=C)=C(CC)N1.C=C(NCC(C)C)C(=C)C1C(C)C=C(CC)C1/N=C/C.CC.CC
InChIInChI=1S/C18H30N2.C12H17N.2C2H6/c1-8-16-10-13(5)17(18(16)19-9-2)14(6)15(7)20-11-12(3)4;1-5-10-8-9-12(4,7-3)13-11(10)6-2;2*1-2/h9-10,12-13,17-18,20H,6-8,11H2,1-5H3;3,5,13H,1,6,8-9H2,2,4H3;2*1-2H3/b19-9+;;;
InChIKeyKDRDBTRGSMHMSV-PWVZHKMWSA-N
XLogP9.03
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.87
LogP ≤ 59.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze ethane;5-ethenyl-6-ethyl-2-ethynyl-2-methyl-3,4-dihydro-1H-pyridine;3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

6-(3-ethyl-4,5,6-trimethyloct-1-ynyl)-2-(4,5,6-trimethyloctan-3-yl)-3a,7a-dihydro-1H-indole
CID 138533260
2,3-diethyl-N-methylcyclopropan-1-amine;(2E)-2-[(2Z)-2-ethylidene-4-methylpent-4-enylidene]-3-methylidenepyridine;2-ethyl-3-methyl-5-methylidene-4-propan-2-ylidene-1H-pyrrole
CID 144154837
N-(5-but-1-en-2-ylimino-4-ethylheptan-3-yl)-4-ethynyl-7-[3-[[(2Z)-penta-2,4-dienylidene]amino]but-1-en-2-yl]cyclohepta-1,3,6-trien-1-amine
CID 156325619
4-[(3Z)-3-(5-aminocyclopent-2-en-1-ylidene)-2-methyl-3-(2-methylpropylideneamino)propyl]-N-methylcyclohexa-1,3-dien-1-amine
CID 169693041
5-N-[2-(diethylamino)ethyl]-2-N-[(2Z)-3-(ethylideneamino)-8-methyltrideca-2,4-dien-12-yn-6-yl]-5-N-methylhexa-1,5-diene-2,5-diamine
CID 141800761
3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine
CID 143346853

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethenyl-6-ethyl-2-ethynyl-2-methyl-3,4-dihydro-1H-pyridine;3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine?
The IUPAC name of ethane;5-ethenyl-6-ethyl-2-ethynyl-2-methyl-3,4-dihydro-1H-pyridine;3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine (CID 143346852) is ethane;5-ethenyl-6-ethyl-2-ethynyl-2-methyl-3,4-dihydro-1H-pyridine;3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine.
What is the SMILES notation for ethane;5-ethenyl-6-ethyl-2-ethynyl-2-methyl-3,4-dihydro-1H-pyridine;3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine?
The canonical SMILES for ethane;5-ethenyl-6-ethyl-2-ethynyl-2-methyl-3,4-dihydro-1H-pyridine;3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine is C#CC1(C)CCC(C=C)=C(CC)N1.C=C(NCC(C)C)C(=C)C1C(C)C=C(CC)C1/N=C/C.CC.CC.
What is the InChIKey of ethane;5-ethenyl-6-ethyl-2-ethynyl-2-methyl-3,4-dihydro-1H-pyridine;3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine?
The InChIKey is KDRDBTRGSMHMSV-PWVZHKMWSA-N. The full InChI is InChI=1S/C18H30N2.C12H17N.2C2H6/c1-8-16-10-13(5)17(18(16)19-9-2)14(6)15(7)20-11-12(3)4;1-5-10-8-9-12(4,7-3)13-11(10)6-2;2*1-2/h9-10,12-13,17-18,20H,6-8,11H2,1-5H3;3,5,13H,1,6,8-9H2,2,4H3;2*1-2H3/b19-9+;;;.
What are the key properties of ethane;5-ethenyl-6-ethyl-2-ethynyl-2-methyl-3,4-dihydro-1H-pyridine;3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine?
ethane;5-ethenyl-6-ethyl-2-ethynyl-2-methyl-3,4-dihydro-1H-pyridine;3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine has a molecular weight of 509.87 g/mol, XLogP of 9.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethenyl-6-ethyl-2-ethynyl-2-methyl-3,4-dihydro-1H-pyridine;3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine is sourced from PubChem (CID 143346852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).