ethane;ethene;(E)-5-ethyl-6-N-methyltetradec-4-ene-6,7-diimine;hept-1-ene;propan-2-ylcyclobutane

C35H70N2 — CID 172567514

IUPACethane;ethene;(E)-5-ethyl-6-N-methyltetradec-4-ene-6,7-diimine;hept-1-ene;propan-2-ylcyclobutane
SMILESC=C.C=CCCCCC.CC.CC(C)C1CCC1.[H]/N=C(CCCCCCC)/C(=N\C)C(=C/CCC)/CC
InChIInChI=1S/C17H32N2.2C7H14.C2H6.C2H4/c1-5-8-10-11-12-14-16(18)17(19-4)15(7-3)13-9-6-2;1-6(2)7-4-3-5-7;1-3-5-7-6-4-2;2*1-2/h13,18H,5-12,14H2,1-4H3;6-7H,3-5H2,1-2H3;3H,1,4-7H2,2H3;1-2H3;1-2H2/b15-13+,18-16+,19-17-;;;;
InChIKeyBMBDBFHXXYVKTP-VDRJBFHZSA-N
MW518.96 g/mol
LogP12.60
Rot. Bonds16

About ethane;ethene;(E)-5-ethyl-6-N-methyltetradec-4-ene-6,7-diimine;hept-1-ene;propan-2-ylcyclobutane

ethane;ethene;(E)-5-ethyl-6-N-methyltetradec-4-ene-6,7-diimine;hept-1-ene;propan-2-ylcyclobutane (PubChem CID 172567514) has the molecular formula C35H70N2 and a molecular weight of 518.96 g/mol. Its IUPAC name is ethane;ethene;(E)-5-ethyl-6-N-methyltetradec-4-ene-6,7-diimine;hept-1-ene;propan-2-ylcyclobutane.

Molecular Properties

Compound Nameethane;ethene;(E)-5-ethyl-6-N-methyltetradec-4-ene-6,7-diimine;hept-1-ene;propan-2-ylcyclobutane
PubChem CID172567514
Molecular FormulaC35H70N2
Molecular Weight518.96 g/mol
Exact Mass518.55
IUPAC Nameethane;ethene;(E)-5-ethyl-6-N-methyltetradec-4-ene-6,7-diimine;hept-1-ene;propan-2-ylcyclobutane
SMILESC=C.C=CCCCCC.CC.CC(C)C1CCC1.[H]/N=C(CCCCCCC)/C(=N\C)C(=C/CCC)/CC
InChIInChI=1S/C17H32N2.2C7H14.C2H6.C2H4/c1-5-8-10-11-12-14-16(18)17(19-4)15(7-3)13-9-6-2;1-6(2)7-4-3-5-7;1-3-5-7-6-4-2;2*1-2/h13,18H,5-12,14H2,1-4H3;6-7H,3-5H2,1-2H3;3H,1,4-7H2,2H3;1-2H3;1-2H2/b15-13+,18-16+,19-17-;;;;
InChIKeyBMBDBFHXXYVKTP-VDRJBFHZSA-N
XLogP12.60
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.96
LogP ≤ 512.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethane;ethene;(E)-5-ethyl-6-N-methyltetradec-4-ene-6,7-diimine;hept-1-ene;propan-2-ylcyclobutane 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

(E)-4-N,5-dimethyldec-5-ene-3,4-diimine;ethane;heptane;prop-1-ene
CID 172567141
dodec-1-ene;ethene
CID 158697165
dec-1-ene;ethene
CID 161044144
butane;1-cyclohexyl-1-methoxydodecan-3-one;ethane;(E)-5-ethyl-6-methylidenetetradec-4-ene;methanimine
CID 172566812
cyclopentane;hept-1-ene
CID 159296541
tetrakis(but-1-ene);oct-1-ene
CID 158942238
octadecane;octadec-1-ene
CID 162018238
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadec-1-ene;tetradec-1-ene
CID 158470925
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;(E)-5-ethyl-6-N-methyltetradec-4-ene-6,7-diimine;hept-1-ene;propan-2-ylcyclobutane?
The IUPAC name of ethane;ethene;(E)-5-ethyl-6-N-methyltetradec-4-ene-6,7-diimine;hept-1-ene;propan-2-ylcyclobutane (CID 172567514) is ethane;ethene;(E)-5-ethyl-6-N-methyltetradec-4-ene-6,7-diimine;hept-1-ene;propan-2-ylcyclobutane.
What is the SMILES notation for ethane;ethene;(E)-5-ethyl-6-N-methyltetradec-4-ene-6,7-diimine;hept-1-ene;propan-2-ylcyclobutane?
The canonical SMILES for ethane;ethene;(E)-5-ethyl-6-N-methyltetradec-4-ene-6,7-diimine;hept-1-ene;propan-2-ylcyclobutane is C=C.C=CCCCCC.CC.CC(C)C1CCC1.[H]/N=C(CCCCCCC)/C(=N\C)C(=C/CCC)/CC.
What is the InChIKey of ethane;ethene;(E)-5-ethyl-6-N-methyltetradec-4-ene-6,7-diimine;hept-1-ene;propan-2-ylcyclobutane?
The InChIKey is BMBDBFHXXYVKTP-VDRJBFHZSA-N. The full InChI is InChI=1S/C17H32N2.2C7H14.C2H6.C2H4/c1-5-8-10-11-12-14-16(18)17(19-4)15(7-3)13-9-6-2;1-6(2)7-4-3-5-7;1-3-5-7-6-4-2;2*1-2/h13,18H,5-12,14H2,1-4H3;6-7H,3-5H2,1-2H3;3H,1,4-7H2,2H3;1-2H3;1-2H2/b15-13+,18-16+,19-17-;;;;.
What are the key properties of ethane;ethene;(E)-5-ethyl-6-N-methyltetradec-4-ene-6,7-diimine;hept-1-ene;propan-2-ylcyclobutane?
ethane;ethene;(E)-5-ethyl-6-N-methyltetradec-4-ene-6,7-diimine;hept-1-ene;propan-2-ylcyclobutane has a molecular weight of 518.96 g/mol, XLogP of 12.60, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;(E)-5-ethyl-6-N-methyltetradec-4-ene-6,7-diimine;hept-1-ene;propan-2-ylcyclobutane is sourced from PubChem (CID 172567514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).