[(2Z)-4-[2-(1-bicyclo[3.2.0]hept-4-enyl)ethyl]-5-ethyl-2-(methylidenehydrazinylidene)-1-pyridinyl]methanamine;ethane;pentane

C25H44N4 — CID 144721570

IUPAC[(2Z)-4-[2-(1-bicyclo[3.2.0]hept-4-enyl)ethyl]-5-ethyl-2-(methylidenehydrazinylidene)-1-pyridinyl]methanamine;ethane;pentane
SMILESC=N/N=c1/cc(CCC23CCC=C2CC3)c(CC)cn1CN.CC.CCCCC
InChIInChI=1S/C18H26N4.C5H12.C2H6/c1-3-14-12-22(13-19)17(21-20-2)11-15(14)6-9-18-8-4-5-16(18)7-10-18;1-3-5-4-2;1-2/h5,11-12H,2-4,6-10,13,19H2,1H3;3-5H2,1-2H3;1-2H3/b21-17-;;
InChIKeyLZRATUKZWSFXII-ZZTUKWCFSA-N
MW400.66 g/mol
LogP6.14
Rot. Bonds8

About [(2Z)-4-[2-(1-bicyclo[3.2.0]hept-4-enyl)ethyl]-5-ethyl-2-(methylidenehydrazinylidene)-1-pyridinyl]methanamine;ethane;pentane

[(2Z)-4-[2-(1-bicyclo[3.2.0]hept-4-enyl)ethyl]-5-ethyl-2-(methylidenehydrazinylidene)-1-pyridinyl]methanamine;ethane;pentane (PubChem CID 144721570) has the molecular formula C25H44N4 and a molecular weight of 400.66 g/mol. Its IUPAC name is [(2Z)-4-[2-(1-bicyclo[3.2.0]hept-4-enyl)ethyl]-5-ethyl-2-(methylidenehydrazinylidene)-1-pyridinyl]methanamine;ethane;pentane.

Molecular Properties

Compound Name[(2Z)-4-[2-(1-bicyclo[3.2.0]hept-4-enyl)ethyl]-5-ethyl-2-(methylidenehydrazinylidene)-1-pyridinyl]methanamine;ethane;pentane
PubChem CID144721570
Molecular FormulaC25H44N4
Molecular Weight400.66 g/mol
Exact Mass400.36
IUPAC Name[(2Z)-4-[2-(1-bicyclo[3.2.0]hept-4-enyl)ethyl]-5-ethyl-2-(methylidenehydrazinylidene)-1-pyridinyl]methanamine;ethane;pentane
SMILESC=N/N=c1/cc(CCC23CCC=C2CC3)c(CC)cn1CN.CC.CCCCC
InChIInChI=1S/C18H26N4.C5H12.C2H6/c1-3-14-12-22(13-19)17(21-20-2)11-15(14)6-9-18-8-4-5-16(18)7-10-18;1-3-5-4-2;1-2/h5,11-12H,2-4,6-10,13,19H2,1H3;3-5H2,1-2H3;1-2H3/b21-17-;;
InChIKeyLZRATUKZWSFXII-ZZTUKWCFSA-N
XLogP6.14
TPSA55.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.66
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(2Z)-4-[2-(1-bicyclo[3.2.0]hept-4-enyl)ethyl]-5-ethyl-2-(methylidenehydrazinylidene)-1-pyridinyl]methanamine;ethane;pentane with MolForge

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Related Compounds

5-butylbicyclo[3.2.0]hept-1-ene
CID 163774181
1-butyl-2,4-diethyl-3-propylpyrrole
CID 10609028
5,5-dibutyl-1-propylcyclopentene
CID 159049930
2-amino-4-butyl-4-phenylcyclohexan-1-one
CID 68697022
2-(1-butyl-5,6-diethoxyindol-3-yl)ethanamine
CID 83948446
4,4-dibutylcyclohex-2-en-1-one
CID 14836303
6-[(E)-non-4-enyl]-3,4-dihydro-1H-pyridin-2-one
CID 134894496
3-(3-ethyl-5,6-dimethylindol-1-yl)propan-1-amine
CID 83948289
3-(5,6-diethoxy-3-ethylindol-1-yl)propan-1-amine
CID 83948447
3,4-diethyl-1-[2,3,4,5,6-pentakis(3,4-diethylpyrrol-1-yl)phenyl]pyrrole
CID 177394887
1-(3-aminopropyl)-3-butyl-5-tert-butylindole-7-carboxylic acid
CID 83945548
(2-hexylimidazol-1-yl)methanamine
CID 141279127

Frequently Asked Questions

What is the IUPAC name of [(2Z)-4-[2-(1-bicyclo[3.2.0]hept-4-enyl)ethyl]-5-ethyl-2-(methylidenehydrazinylidene)-1-pyridinyl]methanamine;ethane;pentane?
The IUPAC name of [(2Z)-4-[2-(1-bicyclo[3.2.0]hept-4-enyl)ethyl]-5-ethyl-2-(methylidenehydrazinylidene)-1-pyridinyl]methanamine;ethane;pentane (CID 144721570) is [(2Z)-4-[2-(1-bicyclo[3.2.0]hept-4-enyl)ethyl]-5-ethyl-2-(methylidenehydrazinylidene)-1-pyridinyl]methanamine;ethane;pentane.
What is the SMILES notation for [(2Z)-4-[2-(1-bicyclo[3.2.0]hept-4-enyl)ethyl]-5-ethyl-2-(methylidenehydrazinylidene)-1-pyridinyl]methanamine;ethane;pentane?
The canonical SMILES for [(2Z)-4-[2-(1-bicyclo[3.2.0]hept-4-enyl)ethyl]-5-ethyl-2-(methylidenehydrazinylidene)-1-pyridinyl]methanamine;ethane;pentane is C=N/N=c1/cc(CCC23CCC=C2CC3)c(CC)cn1CN.CC.CCCCC.
What is the InChIKey of [(2Z)-4-[2-(1-bicyclo[3.2.0]hept-4-enyl)ethyl]-5-ethyl-2-(methylidenehydrazinylidene)-1-pyridinyl]methanamine;ethane;pentane?
The InChIKey is LZRATUKZWSFXII-ZZTUKWCFSA-N. The full InChI is InChI=1S/C18H26N4.C5H12.C2H6/c1-3-14-12-22(13-19)17(21-20-2)11-15(14)6-9-18-8-4-5-16(18)7-10-18;1-3-5-4-2;1-2/h5,11-12H,2-4,6-10,13,19H2,1H3;3-5H2,1-2H3;1-2H3/b21-17-;;.
What are the key properties of [(2Z)-4-[2-(1-bicyclo[3.2.0]hept-4-enyl)ethyl]-5-ethyl-2-(methylidenehydrazinylidene)-1-pyridinyl]methanamine;ethane;pentane?
[(2Z)-4-[2-(1-bicyclo[3.2.0]hept-4-enyl)ethyl]-5-ethyl-2-(methylidenehydrazinylidene)-1-pyridinyl]methanamine;ethane;pentane has a molecular weight of 400.66 g/mol, XLogP of 6.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-4-[2-(1-bicyclo[3.2.0]hept-4-enyl)ethyl]-5-ethyl-2-(methylidenehydrazinylidene)-1-pyridinyl]methanamine;ethane;pentane is sourced from PubChem (CID 144721570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).