3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine

C18H30N2 — CID 143346853

IUPAC3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine
SMILESC=C(NCC(C)C)C(=C)C1C(C)C=C(CC)C1/N=C/C
InChIInChI=1S/C18H30N2/c1-8-16-10-13(5)17(18(16)19-9-2)14(6)15(7)20-11-12(3)4/h9-10,12-13,17-18,20H,6-8,11H2,1-5H3/b19-9+
InChIKeyLNRVVSRPEIEHCZ-DJKKODMXSA-N
MW274.45 g/mol
LogP4.36
Rot. Bonds7

About 3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine

3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine (PubChem CID 143346853) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine.

Molecular Properties

Compound Name3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine
PubChem CID143346853
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine
SMILESC=C(NCC(C)C)C(=C)C1C(C)C=C(CC)C1/N=C/C
InChIInChI=1S/C18H30N2/c1-8-16-10-13(5)17(18(16)19-9-2)14(6)15(7)20-11-12(3)4/h9-10,12-13,17-18,20H,6-8,11H2,1-5H3/b19-9+
InChIKeyLNRVVSRPEIEHCZ-DJKKODMXSA-N
XLogP4.36
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

15-Methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene
CID 19879776
15-Methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),8-triene
CID 67897086
3-(ethylideneamino)-N,7-dimethyl-4-methylidenecyclohept-2-en-1-amine
CID 89503466
(2E)-2-(ethylideneamino)-N,5-dimethylnona-2,8-dien-4-amine
CID 89503467
2-(ethylideneamino)-4-N,5-dimethylcyclohept-2-ene-1,4-diamine
CID 89503485
(8Z,12Z,16Z,19E,21E)-11,15-dihexyl-N-methyl-23-pent-1-en-2-ylimino-10,14-bis[(1E,3E)-5-pent-1-en-2-yliminopenta-1,3-dienyl]tricosa-8,12,16,19,21-pentaen-7-amine
CID 126552058
(2Z,5S)-5-N-ethyl-3-(3-imino-2-methylpropyl)-2-N-methyl-4-methylidenehepta-2,6-diene-2,5-diamine
CID 126686884
7-(4,6-Dimethylcyclohex-3-en-1-yl)-4-hexyl-1,4,5,6,7,8,11,12-octahydroazepino[4,5-d][1]benzazepine
CID 142844915
ethane;ethanimine;(2Z)-2-ethylidene-6-methyl-N-prop-1-en-2-ylcyclohexan-1-amine;prop-1-ene
CID 143013179
ethane;(5E)-6-[(4Z)-3-heptan-3-yl-5-methylidene-4-[(Z)-2-methylpent-2-enylidene]-1H-pyrrol-2-yl]-N-methylhexa-2,5-dien-1-imine
CID 143111725
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
ethanimine;4-heptan-4-yl-1-methylcyclohexene;5-methyl-N-(3-methylbut-3-en-2-yl)heptan-2-amine;propane
CID 143525081

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine?
The IUPAC name of 3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine (CID 143346853) is 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 3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine?
The canonical SMILES for 3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine is C=C(NCC(C)C)C(=C)C1C(C)C=C(CC)C1/N=C/C.
What is the InChIKey of 3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine?
The InChIKey is LNRVVSRPEIEHCZ-DJKKODMXSA-N. The full InChI is InChI=1S/C18H30N2/c1-8-16-10-13(5)17(18(16)19-9-2)14(6)15(7)20-11-12(3)4/h9-10,12-13,17-18,20H,6-8,11H2,1-5H3/b19-9+.
What are the key properties of 3-[3-ethyl-2-(ethylideneamino)-5-methylcyclopent-3-en-1-yl]-N-(2-methylpropyl)buta-1,3-dien-2-amine?
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 274.45 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 143346853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).