N'-[(Z)-5,5-dimethylhex-2-en-3-yl]butanimidamide

C12H24N2 — CID 142399977

IUPACN'-[(Z)-5,5-dimethylhex-2-en-3-yl]butanimidamide
SMILESC/C=C(CC(C)(C)C)\N=C(\N)CCC
InChIInChI=1S/C12H24N2/c1-6-8-11(13)14-10(7-2)9-12(3,4)5/h7H,6,8-9H2,1-5H3,(H2,13,14)/b10-7-
InChIKeyLRWJPUVBYSASFN-YFHOEESVSA-N
MW196.34 g/mol
LogP3.48
Rot. Bonds4

About N'-[(Z)-5,5-dimethylhex-2-en-3-yl]butanimidamide

N'-[(Z)-5,5-dimethylhex-2-en-3-yl]butanimidamide (PubChem CID 142399977) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N'-[(Z)-5,5-dimethylhex-2-en-3-yl]butanimidamide.

Molecular Properties

Compound NameN'-[(Z)-5,5-dimethylhex-2-en-3-yl]butanimidamide
PubChem CID142399977
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN'-[(Z)-5,5-dimethylhex-2-en-3-yl]butanimidamide
SMILESC/C=C(CC(C)(C)C)\N=C(\N)CCC
InChIInChI=1S/C12H24N2/c1-6-8-11(13)14-10(7-2)9-12(3,4)5/h7H,6,8-9H2,1-5H3,(H2,13,14)/b10-7-
InChIKeyLRWJPUVBYSASFN-YFHOEESVSA-N
XLogP3.48
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-amino-3,3-dimethylbutanimidamide
CID 61362370
N-(1-aminobutylidene)cyclobutanecarboxamide
CID 130944346
N'-(1-methylcyclopentyl)butanimidamide
CID 64688898
N'-[(Z)-oct-2-en-3-yl]ethanimidamide
CID 138509627
4-ethylidene-2-methylheptan-2-amine
CID 123879864
N',5,5-trimethylhexanimidamide
CID 59463982
acetonitrile;N'-hydroxybutanimidamide
CID 159901217
N'-[(Z)-hex-2-en-2-yl]-2,2-dimethylpropanimidamide
CID 126735392
N-[(Z)-1-amino-2-methylbut-2-enylidene]butanamide
CID 171544490
6,6-dimethyl-4-methylidenehept-1-en-2-amine
CID 138485298
N'-(2,3,4,5,6-pentafluorophenyl)butanimidamide
CID 113336760
N'-[(2-methylcyclohexyl)methyl]butanimidamide
CID 63176610

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-5,5-dimethylhex-2-en-3-yl]butanimidamide?
The IUPAC name of N'-[(Z)-5,5-dimethylhex-2-en-3-yl]butanimidamide (CID 142399977) is N'-[(Z)-5,5-dimethylhex-2-en-3-yl]butanimidamide.
What is the SMILES notation for N'-[(Z)-5,5-dimethylhex-2-en-3-yl]butanimidamide?
The canonical SMILES for N'-[(Z)-5,5-dimethylhex-2-en-3-yl]butanimidamide is C/C=C(CC(C)(C)C)\N=C(\N)CCC.
What is the InChIKey of N'-[(Z)-5,5-dimethylhex-2-en-3-yl]butanimidamide?
The InChIKey is LRWJPUVBYSASFN-YFHOEESVSA-N. The full InChI is InChI=1S/C12H24N2/c1-6-8-11(13)14-10(7-2)9-12(3,4)5/h7H,6,8-9H2,1-5H3,(H2,13,14)/b10-7-.
What are the key properties of N'-[(Z)-5,5-dimethylhex-2-en-3-yl]butanimidamide?
N'-[(Z)-5,5-dimethylhex-2-en-3-yl]butanimidamide has a molecular weight of 196.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-5,5-dimethylhex-2-en-3-yl]butanimidamide is sourced from PubChem (CID 142399977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).