2-methylpropanimidamide;hydrochloride

C4H11ClN2 — CID 2782053

IUPAC2-methylpropanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(C)C
InChIInChI=1S/C4H10N2.ClH/c1-3(2)4(5)6;/h3H,1-2H3,(H3,5,6);1H
InChIKeyVWXLCWNPSOUPPE-UHFFFAOYSA-N
MW122.60 g/mol
LogP1.00
Rot. Bonds1

About 2-methylpropanimidamide;hydrochloride

2-methylpropanimidamide;hydrochloride (PubChem CID 2782053) has the molecular formula C4H11ClN2 and a molecular weight of 122.60 g/mol. Its IUPAC name is 2-methylpropanimidamide;hydrochloride.

Molecular Properties

Compound Name2-methylpropanimidamide;hydrochloride
PubChem CID2782053
Molecular FormulaC4H11ClN2
Molecular Weight122.60 g/mol
Exact Mass122.06
IUPAC Name2-methylpropanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(C)C
InChIInChI=1S/C4H10N2.ClH/c1-3(2)4(5)6;/h3H,1-2H3,(H3,5,6);1H
InChIKeyVWXLCWNPSOUPPE-UHFFFAOYSA-N
XLogP1.00
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.60
LogP ≤ 51.00
H-Bond Donors ≤ 52
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

(2R)-2-hydroxypropanimidamide;hydrochloride
CID 42614222
(1-amino-1-iminopropan-2-yl) carbamimidothioate;dihydrochloride
CID 131862948
2-ethylpropanediimidamide;dihydrochloride
CID 87175836
(2R)-2-methoxypropanimidamide
CID 11768515
N-(1-amino-1-iminopropan-2-yl)acetamide
CID 172748430
2-(disulfanyl)propanimidamide
CID 175395946
(2S)-2-cyclopropylpropanimidamide
CID 95732542
(4-amino-3-hydroxy-4-iminobutan-2-yl) carbamate
CID 175155261
3-(dimethylamino)-2-methylpropanimidamide
CID 43368046
2-fluoro-4-methylpentanimidamide
CID 115011258
[(2S)-4-amino-3-hydroxy-4-iminobutan-2-yl]carbamic acid
CID 118525619
4-carbamimidoyl-5-methylhexanoic acid
CID 141366618

Frequently Asked Questions

What is the IUPAC name of 2-methylpropanimidamide;hydrochloride?
The IUPAC name of 2-methylpropanimidamide;hydrochloride (CID 2782053) is 2-methylpropanimidamide;hydrochloride.
What is the SMILES notation for 2-methylpropanimidamide;hydrochloride?
The canonical SMILES for 2-methylpropanimidamide;hydrochloride is Cl.[H]/N=C(\N)C(C)C.
What is the InChIKey of 2-methylpropanimidamide;hydrochloride?
The InChIKey is VWXLCWNPSOUPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.ClH/c1-3(2)4(5)6;/h3H,1-2H3,(H3,5,6);1H.
What are the key properties of 2-methylpropanimidamide;hydrochloride?
2-methylpropanimidamide;hydrochloride has a molecular weight of 122.60 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanimidamide;hydrochloride is sourced from PubChem (CID 2782053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).