ethane;(Z)-9-ethyl-N,7-dimethyltridec-6-en-5-imine;(3Z)-2-methylpenta-1,3-diene;(3Z)-penta-1,3-diene

C30H57N — CID 145299281

IUPACethane;(Z)-9-ethyl-N,7-dimethyltridec-6-en-5-imine;(3Z)-2-methylpenta-1,3-diene;(3Z)-penta-1,3-diene
SMILESC=C(C)/C=C\C.C=C/C=C\C.CC.CCCCC(/C=C(/C)CC(CC)CCCC)=N\C
InChIInChI=1S/C17H33N.C6H10.C5H8.C2H6/c1-6-9-11-16(8-3)13-15(4)14-17(18-5)12-10-7-2;1-4-5-6(2)3;1-3-5-4-2;1-2/h14,16H,6-13H2,1-5H3;4-5H,2H2,1,3H3;3-5H,1H2,2H3;1-2H3/b15-14-,18-17+;2*5-4-;
InChIKeyRSCJGOGKANBJEX-VGWPKWJISA-N
MW431.79 g/mol
LogP10.71
Rot. Bonds12

About ethane;(Z)-9-ethyl-N,7-dimethyltridec-6-en-5-imine;(3Z)-2-methylpenta-1,3-diene;(3Z)-penta-1,3-diene

ethane;(Z)-9-ethyl-N,7-dimethyltridec-6-en-5-imine;(3Z)-2-methylpenta-1,3-diene;(3Z)-penta-1,3-diene (PubChem CID 145299281) has the molecular formula C30H57N and a molecular weight of 431.79 g/mol. Its IUPAC name is ethane;(Z)-9-ethyl-N,7-dimethyltridec-6-en-5-imine;(3Z)-2-methylpenta-1,3-diene;(3Z)-penta-1,3-diene.

Molecular Properties

Compound Nameethane;(Z)-9-ethyl-N,7-dimethyltridec-6-en-5-imine;(3Z)-2-methylpenta-1,3-diene;(3Z)-penta-1,3-diene
PubChem CID145299281
Molecular FormulaC30H57N
Molecular Weight431.79 g/mol
Exact Mass431.45
IUPAC Nameethane;(Z)-9-ethyl-N,7-dimethyltridec-6-en-5-imine;(3Z)-2-methylpenta-1,3-diene;(3Z)-penta-1,3-diene
SMILESC=C(C)/C=C\C.C=C/C=C\C.CC.CCCCC(/C=C(/C)CC(CC)CCCC)=N\C
InChIInChI=1S/C17H33N.C6H10.C5H8.C2H6/c1-6-9-11-16(8-3)13-15(4)14-17(18-5)12-10-7-2;1-4-5-6(2)3;1-3-5-4-2;1-2/h14,16H,6-13H2,1-5H3;4-5H,2H2,1,3H3;3-5H,1H2,2H3;1-2H3/b15-14-,18-17+;2*5-4-;
InChIKeyRSCJGOGKANBJEX-VGWPKWJISA-N
XLogP10.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.79
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-9-ethyl-N,7-dimethyltridec-6-en-5-imine;(3Z)-2-methylpenta-1,3-diene;(3Z)-penta-1,3-diene?
The IUPAC name of ethane;(Z)-9-ethyl-N,7-dimethyltridec-6-en-5-imine;(3Z)-2-methylpenta-1,3-diene;(3Z)-penta-1,3-diene (CID 145299281) is ethane;(Z)-9-ethyl-N,7-dimethyltridec-6-en-5-imine;(3Z)-2-methylpenta-1,3-diene;(3Z)-penta-1,3-diene.
What is the SMILES notation for ethane;(Z)-9-ethyl-N,7-dimethyltridec-6-en-5-imine;(3Z)-2-methylpenta-1,3-diene;(3Z)-penta-1,3-diene?
The canonical SMILES for ethane;(Z)-9-ethyl-N,7-dimethyltridec-6-en-5-imine;(3Z)-2-methylpenta-1,3-diene;(3Z)-penta-1,3-diene is C=C(C)/C=C\C.C=C/C=C\C.CC.CCCCC(/C=C(/C)CC(CC)CCCC)=N\C.
What is the InChIKey of ethane;(Z)-9-ethyl-N,7-dimethyltridec-6-en-5-imine;(3Z)-2-methylpenta-1,3-diene;(3Z)-penta-1,3-diene?
The InChIKey is RSCJGOGKANBJEX-VGWPKWJISA-N. The full InChI is InChI=1S/C17H33N.C6H10.C5H8.C2H6/c1-6-9-11-16(8-3)13-15(4)14-17(18-5)12-10-7-2;1-4-5-6(2)3;1-3-5-4-2;1-2/h14,16H,6-13H2,1-5H3;4-5H,2H2,1,3H3;3-5H,1H2,2H3;1-2H3/b15-14-,18-17+;2*5-4-;.
What are the key properties of ethane;(Z)-9-ethyl-N,7-dimethyltridec-6-en-5-imine;(3Z)-2-methylpenta-1,3-diene;(3Z)-penta-1,3-diene?
ethane;(Z)-9-ethyl-N,7-dimethyltridec-6-en-5-imine;(3Z)-2-methylpenta-1,3-diene;(3Z)-penta-1,3-diene has a molecular weight of 431.79 g/mol, XLogP of 10.71, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-9-ethyl-N,7-dimethyltridec-6-en-5-imine;(3Z)-2-methylpenta-1,3-diene;(3Z)-penta-1,3-diene is sourced from PubChem (CID 145299281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).