N',3-dimethylbutanimidamide;hydrochloride

C6H15ClN2 — CID 141307691

IUPACN',3-dimethylbutanimidamide;hydrochloride
SMILESC/N=C(\N)CC(C)C.Cl
InChIInChI=1S/C6H14N2.ClH/c1-5(2)4-6(7)8-3;/h5H,4H2,1-3H3,(H2,7,8);1H
InChIKeyJFJMFRWKHBAPIV-UHFFFAOYSA-N
MW150.65 g/mol
LogP1.44
Rot. Bonds2

About N',3-dimethylbutanimidamide;hydrochloride

N',3-dimethylbutanimidamide;hydrochloride (PubChem CID 141307691) has the molecular formula C6H15ClN2 and a molecular weight of 150.65 g/mol. Its IUPAC name is N',3-dimethylbutanimidamide;hydrochloride.

Molecular Properties

Compound NameN',3-dimethylbutanimidamide;hydrochloride
PubChem CID141307691
Molecular FormulaC6H15ClN2
Molecular Weight150.65 g/mol
Exact Mass150.09
IUPAC NameN',3-dimethylbutanimidamide;hydrochloride
SMILESC/N=C(\N)CC(C)C.Cl
InChIInChI=1S/C6H14N2.ClH/c1-5(2)4-6(7)8-3;/h5H,4H2,1-3H3,(H2,7,8);1H
InChIKeyJFJMFRWKHBAPIV-UHFFFAOYSA-N
XLogP1.44
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.65
LogP ≤ 51.44
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'-[(E)-2-amino-1,2-dicyanoethenyl]-3-methylbutanimidamide;hydrochloride
CID 142655276
N'-(2-methoxyethyl)-3-methylbutanimidamide
CID 63181243
3-methylbutanamide
CID 87933309
3-methylbutanimidamide;hydrochloride
CID 18967932
N'-(4-chlorophenyl)-3-methylbutanimidamide
CID 22285644
2-methylpropyl N'-methylcarbamimidothioate
CID 126994362
2-cyclopropyl-N'-methylethanimidamide;hydrochloride
CID 146049492
4-amino-4-methyliminobutanamide
CID 87596187
(2-amino-2-methyliminoethyl) thiohypofluorite
CID 138502629
N'-hydroxy-2-(2-methylpropylsulfanyl)ethanimidamide
CID 43113939
N'-(3-fluorophenyl)-3-methylbutanimidamide
CID 121219593
CID 174036232
CID 174036232

Frequently Asked Questions

What is the IUPAC name of N',3-dimethylbutanimidamide;hydrochloride?
The IUPAC name of N',3-dimethylbutanimidamide;hydrochloride (CID 141307691) is N',3-dimethylbutanimidamide;hydrochloride.
What is the SMILES notation for N',3-dimethylbutanimidamide;hydrochloride?
The canonical SMILES for N',3-dimethylbutanimidamide;hydrochloride is C/N=C(\N)CC(C)C.Cl.
What is the InChIKey of N',3-dimethylbutanimidamide;hydrochloride?
The InChIKey is JFJMFRWKHBAPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.ClH/c1-5(2)4-6(7)8-3;/h5H,4H2,1-3H3,(H2,7,8);1H.
What are the key properties of N',3-dimethylbutanimidamide;hydrochloride?
N',3-dimethylbutanimidamide;hydrochloride has a molecular weight of 150.65 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dimethylbutanimidamide;hydrochloride is sourced from PubChem (CID 141307691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).