N-[(E)-2,9-dimethyldec-1-enyl]methanimine;ethane;pentane

C20H43N — CID 144712463

IUPACN-[(E)-2,9-dimethyldec-1-enyl]methanimine;ethane;pentane
SMILESC=N/C=C(\C)CCCCCCC(C)C.CC.CCCCC
InChIInChI=1S/C13H25N.C5H12.C2H6/c1-12(2)9-7-5-6-8-10-13(3)11-14-4;1-3-5-4-2;1-2/h11-12H,4-10H2,1-3H3;3-5H2,1-2H3;1-2H3/b13-11+;;
InChIKeyWMKHIHNJFAXPJV-UAIOKUCGSA-N
MW297.57 g/mol
LogP7.81
Rot. Bonds10

About N-[(E)-2,9-dimethyldec-1-enyl]methanimine;ethane;pentane

N-[(E)-2,9-dimethyldec-1-enyl]methanimine;ethane;pentane (PubChem CID 144712463) has the molecular formula C20H43N and a molecular weight of 297.57 g/mol. Its IUPAC name is N-[(E)-2,9-dimethyldec-1-enyl]methanimine;ethane;pentane.

Molecular Properties

Compound NameN-[(E)-2,9-dimethyldec-1-enyl]methanimine;ethane;pentane
PubChem CID144712463
Molecular FormulaC20H43N
Molecular Weight297.57 g/mol
Exact Mass297.34
IUPAC NameN-[(E)-2,9-dimethyldec-1-enyl]methanimine;ethane;pentane
SMILESC=N/C=C(\C)CCCCCCC(C)C.CC.CCCCC
InChIInChI=1S/C13H25N.C5H12.C2H6/c1-12(2)9-7-5-6-8-10-13(3)11-14-4;1-3-5-4-2;1-2/h11-12H,4-10H2,1-3H3;3-5H2,1-2H3;1-2H3/b13-11+;;
InChIKeyWMKHIHNJFAXPJV-UAIOKUCGSA-N
XLogP7.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.57
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-3-cyclohexyl-2-methylprop-1-enyl]methanimine
CID 118055411
N-(3-ethyl-2-methyloct-1-enyl)prop-1-en-1-imine
CID 123267671
(4,8-Diethyl-2,11-dimethyldodec-1-enyl)-methyl-methylideneazanium
CID 123634732
N-(3-butyl-2-methyloct-1-enyl)methanimine
CID 123742477
(2Z)-2-[(ethylideneamino)methylidene]-N-methyl-3-pentyldecan-1-imine
CID 130314514
N-[(E)-2,4-dimethyl-3-methylideneoct-1-enyl]methanimine
CID 131971023
N-[(Z)-7-methyl-2-(6-methylheptan-3-yl)oct-1-enyl]methanimine
CID 134313970
N-[(E)-3-(2,2-dimethylpropyl)-2-methylhept-1-enyl]methanimine
CID 139319938
ethylcyclohexane;methane;N-[(E)-2-methylpent-1-enyl]ethanimine
CID 142002778
ethane;N-[(Z)-2,3,7-trimethyloct-1-enyl]ethanimine
CID 144380715
N-[(E)-2,3-diethyl-5,5-dimethylhex-1-enyl]methanimine;ethane;methylphosphane
CID 144837092
N-[(Z)-2-ethyl-4-methyl-3-methylidenepent-1-enyl]methanimine
CID 145384898

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,9-dimethyldec-1-enyl]methanimine;ethane;pentane?
The IUPAC name of N-[(E)-2,9-dimethyldec-1-enyl]methanimine;ethane;pentane (CID 144712463) is N-[(E)-2,9-dimethyldec-1-enyl]methanimine;ethane;pentane.
What is the SMILES notation for N-[(E)-2,9-dimethyldec-1-enyl]methanimine;ethane;pentane?
The canonical SMILES for N-[(E)-2,9-dimethyldec-1-enyl]methanimine;ethane;pentane is C=N/C=C(\C)CCCCCCC(C)C.CC.CCCCC.
What is the InChIKey of N-[(E)-2,9-dimethyldec-1-enyl]methanimine;ethane;pentane?
The InChIKey is WMKHIHNJFAXPJV-UAIOKUCGSA-N. The full InChI is InChI=1S/C13H25N.C5H12.C2H6/c1-12(2)9-7-5-6-8-10-13(3)11-14-4;1-3-5-4-2;1-2/h11-12H,4-10H2,1-3H3;3-5H2,1-2H3;1-2H3/b13-11+;;.
What are the key properties of N-[(E)-2,9-dimethyldec-1-enyl]methanimine;ethane;pentane?
N-[(E)-2,9-dimethyldec-1-enyl]methanimine;ethane;pentane has a molecular weight of 297.57 g/mol, XLogP of 7.81, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,9-dimethyldec-1-enyl]methanimine;ethane;pentane is sourced from PubChem (CID 144712463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).