N'-[(E)-but-2-en-2-yl]-N-[(Z)-5-methyldec-2-en-2-yl]methanimidamide

C16H30N2 — CID 123840379

IUPACN'-[(E)-but-2-en-2-yl]-N-[(Z)-5-methyldec-2-en-2-yl]methanimidamide
SMILESC/C=C(C)/N=C/N/C(C)=C\CC(C)CCCCC
InChIInChI=1S/C16H30N2/c1-6-8-9-10-14(3)11-12-16(5)18-13-17-15(4)7-2/h7,12-14H,6,8-11H2,1-5H3,(H,17,18)/b15-7+,16-12-
InChIKeyXZMQEUXMJRWCQJ-KUGKNZRYSA-N
MW250.43 g/mol
LogP5.04
Rot. Bonds9

About N'-[(E)-but-2-en-2-yl]-N-[(Z)-5-methyldec-2-en-2-yl]methanimidamide

N'-[(E)-but-2-en-2-yl]-N-[(Z)-5-methyldec-2-en-2-yl]methanimidamide (PubChem CID 123840379) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N'-[(E)-but-2-en-2-yl]-N-[(Z)-5-methyldec-2-en-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(E)-but-2-en-2-yl]-N-[(Z)-5-methyldec-2-en-2-yl]methanimidamide
PubChem CID123840379
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN'-[(E)-but-2-en-2-yl]-N-[(Z)-5-methyldec-2-en-2-yl]methanimidamide
SMILESC/C=C(C)/N=C/N/C(C)=C\CC(C)CCCCC
InChIInChI=1S/C16H30N2/c1-6-8-9-10-14(3)11-12-16(5)18-13-17-15(4)7-2/h7,12-14H,6,8-11H2,1-5H3,(H,17,18)/b15-7+,16-12-
InChIKeyXZMQEUXMJRWCQJ-KUGKNZRYSA-N
XLogP5.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-(4-propylcyclohexa-1,5-dien-1-yl)methanimidamide
CID 132185582
N'-[(Z)-1-[2-methyl-3-[(E)-2-(methylamino)prop-1-enyl]cyclohex-2-en-1-yl]but-2-en-2-yl]methanimidamide
CID 134387948
N'-methyl-N-[(Z)-5-methylhex-2-en-2-yl]methanimidamide
CID 142928332
heptane;methane;N'-methyl-N-[(Z)-8-methylnon-2-en-3-yl]methanimidamide
CID 143961640
N'-methyl-N-[(Z)-8-methylnon-2-en-3-yl]methanimidamide
CID 143961641

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-but-2-en-2-yl]-N-[(Z)-5-methyldec-2-en-2-yl]methanimidamide?
The IUPAC name of N'-[(E)-but-2-en-2-yl]-N-[(Z)-5-methyldec-2-en-2-yl]methanimidamide (CID 123840379) is N'-[(E)-but-2-en-2-yl]-N-[(Z)-5-methyldec-2-en-2-yl]methanimidamide.
What is the SMILES notation for N'-[(E)-but-2-en-2-yl]-N-[(Z)-5-methyldec-2-en-2-yl]methanimidamide?
The canonical SMILES for N'-[(E)-but-2-en-2-yl]-N-[(Z)-5-methyldec-2-en-2-yl]methanimidamide is C/C=C(C)/N=C/N/C(C)=C\CC(C)CCCCC.
What is the InChIKey of N'-[(E)-but-2-en-2-yl]-N-[(Z)-5-methyldec-2-en-2-yl]methanimidamide?
The InChIKey is XZMQEUXMJRWCQJ-KUGKNZRYSA-N. The full InChI is InChI=1S/C16H30N2/c1-6-8-9-10-14(3)11-12-16(5)18-13-17-15(4)7-2/h7,12-14H,6,8-11H2,1-5H3,(H,17,18)/b15-7+,16-12-.
What are the key properties of N'-[(E)-but-2-en-2-yl]-N-[(Z)-5-methyldec-2-en-2-yl]methanimidamide?
N'-[(E)-but-2-en-2-yl]-N-[(Z)-5-methyldec-2-en-2-yl]methanimidamide has a molecular weight of 250.43 g/mol, XLogP of 5.04, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-but-2-en-2-yl]-N-[(Z)-5-methyldec-2-en-2-yl]methanimidamide is sourced from PubChem (CID 123840379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).