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

C12H24N2 — CID 138719539

IUPACN'-[(E)-2,2-dimethylhex-3-en-3-yl]butanimidamide
SMILESCC/C=C(/N=C(/N)CCC)C(C)(C)C
InChIInChI=1S/C12H24N2/c1-6-8-10(12(3,4)5)14-11(13)9-7-2/h8H,6-7,9H2,1-5H3,(H2,13,14)/b10-8+
InChIKeyBQWFIEGGFCWYFH-CSKARUKUSA-N
MW196.34 g/mol
LogP3.48
Rot. Bonds4

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

N'-[(E)-2,2-dimethylhex-3-en-3-yl]butanimidamide (PubChem CID 138719539) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N'-[(E)-2,2-dimethylhex-3-en-3-yl]butanimidamide.

Molecular Properties

Compound NameN'-[(E)-2,2-dimethylhex-3-en-3-yl]butanimidamide
PubChem CID138719539
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN'-[(E)-2,2-dimethylhex-3-en-3-yl]butanimidamide
SMILESCC/C=C(/N=C(/N)CCC)C(C)(C)C
InChIInChI=1S/C12H24N2/c1-6-8-10(12(3,4)5)14-11(13)9-7-2/h8H,6-7,9H2,1-5H3,(H2,13,14)/b10-8+
InChIKeyBQWFIEGGFCWYFH-CSKARUKUSA-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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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2,2-dimethylhex-3-en-3-yl]butanimidamide?
The IUPAC name of N'-[(E)-2,2-dimethylhex-3-en-3-yl]butanimidamide (CID 138719539) is N'-[(E)-2,2-dimethylhex-3-en-3-yl]butanimidamide.
What is the SMILES notation for N'-[(E)-2,2-dimethylhex-3-en-3-yl]butanimidamide?
The canonical SMILES for N'-[(E)-2,2-dimethylhex-3-en-3-yl]butanimidamide is CC/C=C(/N=C(/N)CCC)C(C)(C)C.
What is the InChIKey of N'-[(E)-2,2-dimethylhex-3-en-3-yl]butanimidamide?
The InChIKey is BQWFIEGGFCWYFH-CSKARUKUSA-N. The full InChI is InChI=1S/C12H24N2/c1-6-8-10(12(3,4)5)14-11(13)9-7-2/h8H,6-7,9H2,1-5H3,(H2,13,14)/b10-8+.
What are the key properties of N'-[(E)-2,2-dimethylhex-3-en-3-yl]butanimidamide?
N'-[(E)-2,2-dimethylhex-3-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'-[(E)-2,2-dimethylhex-3-en-3-yl]butanimidamide is sourced from PubChem (CID 138719539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).