(Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine;ethane;3-methylhexane;pentane

C26H55N — CID 142120230

IUPAC(Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine;ethane;3-methylhexane;pentane
SMILESC=C(CC)/N=C(C)/C=C\C(C)CC.CC.CCCC(C)CC.CCCCC
InChIInChI=1S/C12H21N.C7H16.C5H12.C2H6/c1-6-10(3)8-9-12(5)13-11(4)7-2;1-4-6-7(3)5-2;1-3-5-4-2;1-2/h8-10H,4,6-7H2,1-3,5H3;7H,4-6H2,1-3H3;3-5H2,1-2H3;1-2H3/b9-8-,13-12+;;;
InChIKeyVBIZWPIHTUAZHS-ITUGUWRISA-N
MW381.73 g/mol
LogP10.03
Rot. Bonds10

About (Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine;ethane;3-methylhexane;pentane

(Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine;ethane;3-methylhexane;pentane (PubChem CID 142120230) has the molecular formula C26H55N and a molecular weight of 381.73 g/mol. Its IUPAC name is (Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine;ethane;3-methylhexane;pentane.

Molecular Properties

Compound Name(Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine;ethane;3-methylhexane;pentane
PubChem CID142120230
Molecular FormulaC26H55N
Molecular Weight381.73 g/mol
Exact Mass381.43
IUPAC Name(Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine;ethane;3-methylhexane;pentane
SMILESC=C(CC)/N=C(C)/C=C\C(C)CC.CC.CCCC(C)CC.CCCCC
InChIInChI=1S/C12H21N.C7H16.C5H12.C2H6/c1-6-10(3)8-9-12(5)13-11(4)7-2;1-4-6-7(3)5-2;1-3-5-4-2;1-2/h8-10H,4,6-7H2,1-3,5H3;7H,4-6H2,1-3H3;3-5H2,1-2H3;1-2H3/b9-8-,13-12+;;;
InChIKeyVBIZWPIHTUAZHS-ITUGUWRISA-N
XLogP10.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.73
LogP ≤ 510.03
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 (Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine;ethane;3-methylhexane;pentane?
The IUPAC name of (Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine;ethane;3-methylhexane;pentane (CID 142120230) is (Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine;ethane;3-methylhexane;pentane.
What is the SMILES notation for (Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine;ethane;3-methylhexane;pentane?
The canonical SMILES for (Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine;ethane;3-methylhexane;pentane is C=C(CC)/N=C(C)/C=C\C(C)CC.CC.CCCC(C)CC.CCCCC.
What is the InChIKey of (Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine;ethane;3-methylhexane;pentane?
The InChIKey is VBIZWPIHTUAZHS-ITUGUWRISA-N. The full InChI is InChI=1S/C12H21N.C7H16.C5H12.C2H6/c1-6-10(3)8-9-12(5)13-11(4)7-2;1-4-6-7(3)5-2;1-3-5-4-2;1-2/h8-10H,4,6-7H2,1-3,5H3;7H,4-6H2,1-3H3;3-5H2,1-2H3;1-2H3/b9-8-,13-12+;;;.
What are the key properties of (Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine;ethane;3-methylhexane;pentane?
(Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine;ethane;3-methylhexane;pentane has a molecular weight of 381.73 g/mol, XLogP of 10.03, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine;ethane;3-methylhexane;pentane is sourced from PubChem (CID 142120230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).