ethane;(Z)-N-hex-1-en-2-yl-5-methylhept-3-en-2-imine;4-methylheptane;3-methylhexane

C31H65N — CID 142122029

IUPACethane;(Z)-N-hex-1-en-2-yl-5-methylhept-3-en-2-imine;4-methylheptane;3-methylhexane
SMILESC=C(CCCC)/N=C(C)/C=C\C(C)CC.CC.CCCC(C)CC.CCCC(C)CCC
InChIInChI=1S/C14H25N.C8H18.C7H16.C2H6/c1-6-8-9-13(4)15-14(5)11-10-12(3)7-2;1-4-6-8(3)7-5-2;1-4-6-7(3)5-2;1-2/h10-12H,4,6-9H2,1-3,5H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3;1-2H3/b11-10-,15-14+;;;
InChIKeyDSYJSFOIYZLJBC-UTAOPFMTSA-N
MW451.87 g/mol
LogP11.84
Rot. Bonds14

About ethane;(Z)-N-hex-1-en-2-yl-5-methylhept-3-en-2-imine;4-methylheptane;3-methylhexane

ethane;(Z)-N-hex-1-en-2-yl-5-methylhept-3-en-2-imine;4-methylheptane;3-methylhexane (PubChem CID 142122029) has the molecular formula C31H65N and a molecular weight of 451.87 g/mol. Its IUPAC name is ethane;(Z)-N-hex-1-en-2-yl-5-methylhept-3-en-2-imine;4-methylheptane;3-methylhexane.

Molecular Properties

Compound Nameethane;(Z)-N-hex-1-en-2-yl-5-methylhept-3-en-2-imine;4-methylheptane;3-methylhexane
PubChem CID142122029
Molecular FormulaC31H65N
Molecular Weight451.87 g/mol
Exact Mass451.51
IUPAC Nameethane;(Z)-N-hex-1-en-2-yl-5-methylhept-3-en-2-imine;4-methylheptane;3-methylhexane
SMILESC=C(CCCC)/N=C(C)/C=C\C(C)CC.CC.CCCC(C)CC.CCCC(C)CCC
InChIInChI=1S/C14H25N.C8H18.C7H16.C2H6/c1-6-8-9-13(4)15-14(5)11-10-12(3)7-2;1-4-6-8(3)7-5-2;1-4-6-7(3)5-2;1-2/h10-12H,4,6-9H2,1-3,5H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3;1-2H3/b11-10-,15-14+;;;
InChIKeyDSYJSFOIYZLJBC-UTAOPFMTSA-N
XLogP11.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.87
LogP ≤ 511.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-hex-1-en-2-yl-5-methylhept-3-en-2-imine;4-methylheptane;3-methylhexane?
The IUPAC name of ethane;(Z)-N-hex-1-en-2-yl-5-methylhept-3-en-2-imine;4-methylheptane;3-methylhexane (CID 142122029) is ethane;(Z)-N-hex-1-en-2-yl-5-methylhept-3-en-2-imine;4-methylheptane;3-methylhexane.
What is the SMILES notation for ethane;(Z)-N-hex-1-en-2-yl-5-methylhept-3-en-2-imine;4-methylheptane;3-methylhexane?
The canonical SMILES for ethane;(Z)-N-hex-1-en-2-yl-5-methylhept-3-en-2-imine;4-methylheptane;3-methylhexane is C=C(CCCC)/N=C(C)/C=C\C(C)CC.CC.CCCC(C)CC.CCCC(C)CCC.
What is the InChIKey of ethane;(Z)-N-hex-1-en-2-yl-5-methylhept-3-en-2-imine;4-methylheptane;3-methylhexane?
The InChIKey is DSYJSFOIYZLJBC-UTAOPFMTSA-N. The full InChI is InChI=1S/C14H25N.C8H18.C7H16.C2H6/c1-6-8-9-13(4)15-14(5)11-10-12(3)7-2;1-4-6-8(3)7-5-2;1-4-6-7(3)5-2;1-2/h10-12H,4,6-9H2,1-3,5H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3;1-2H3/b11-10-,15-14+;;;.
What are the key properties of ethane;(Z)-N-hex-1-en-2-yl-5-methylhept-3-en-2-imine;4-methylheptane;3-methylhexane?
ethane;(Z)-N-hex-1-en-2-yl-5-methylhept-3-en-2-imine;4-methylheptane;3-methylhexane has a molecular weight of 451.87 g/mol, XLogP of 11.84, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-hex-1-en-2-yl-5-methylhept-3-en-2-imine;4-methylheptane;3-methylhexane is sourced from PubChem (CID 142122029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).