3-methylbutanimidamide;hydrochloride

C5H13ClN2 — CID 18967932

IUPAC3-methylbutanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CC(C)C
InChIInChI=1S/C5H12N2.ClH/c1-4(2)3-5(6)7;/h4H,3H2,1-2H3,(H3,6,7);1H
InChIKeySYMBJSDZFDGMCY-UHFFFAOYSA-N
MW136.63 g/mol
LogP1.39
Rot. Bonds2

About 3-methylbutanimidamide;hydrochloride

3-methylbutanimidamide;hydrochloride (PubChem CID 18967932) has the molecular formula C5H13ClN2 and a molecular weight of 136.63 g/mol. Its IUPAC name is 3-methylbutanimidamide;hydrochloride.

Molecular Properties

Compound Name3-methylbutanimidamide;hydrochloride
PubChem CID18967932
Molecular FormulaC5H13ClN2
Molecular Weight136.63 g/mol
Exact Mass136.08
IUPAC Name3-methylbutanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CC(C)C
InChIInChI=1S/C5H12N2.ClH/c1-4(2)3-5(6)7;/h4H,3H2,1-2H3,(H3,6,7);1H
InChIKeySYMBJSDZFDGMCY-UHFFFAOYSA-N
XLogP1.39
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.63
LogP ≤ 51.39
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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Frequently Asked Questions

What is the IUPAC name of 3-methylbutanimidamide;hydrochloride?
The IUPAC name of 3-methylbutanimidamide;hydrochloride (CID 18967932) is 3-methylbutanimidamide;hydrochloride.
What is the SMILES notation for 3-methylbutanimidamide;hydrochloride?
The canonical SMILES for 3-methylbutanimidamide;hydrochloride is Cl.[H]/N=C(\N)CC(C)C.
What is the InChIKey of 3-methylbutanimidamide;hydrochloride?
The InChIKey is SYMBJSDZFDGMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.ClH/c1-4(2)3-5(6)7;/h4H,3H2,1-2H3,(H3,6,7);1H.
What are the key properties of 3-methylbutanimidamide;hydrochloride?
3-methylbutanimidamide;hydrochloride has a molecular weight of 136.63 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutanimidamide;hydrochloride is sourced from PubChem (CID 18967932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).