N,N'-dimethylbutanimidamide;hydrochloride

C6H15ClN2 — CID 139836497

IUPACN,N'-dimethylbutanimidamide;hydrochloride
SMILESCCC/C(=N\C)NC.Cl
InChIInChI=1S/C6H14N2.ClH/c1-4-5-6(7-2)8-3;/h4-5H2,1-3H3,(H,7,8);1H
InChIKeyMKLYPTYZISAMMC-UHFFFAOYSA-N
MW150.65 g/mol
LogP1.46
Rot. Bonds2

About N,N'-dimethylbutanimidamide;hydrochloride

N,N'-dimethylbutanimidamide;hydrochloride (PubChem CID 139836497) has the molecular formula C6H15ClN2 and a molecular weight of 150.65 g/mol. Its IUPAC name is N,N'-dimethylbutanimidamide;hydrochloride.

Molecular Properties

Compound NameN,N'-dimethylbutanimidamide;hydrochloride
PubChem CID139836497
Molecular FormulaC6H15ClN2
Molecular Weight150.65 g/mol
Exact Mass150.09
IUPAC NameN,N'-dimethylbutanimidamide;hydrochloride
SMILESCCC/C(=N\C)NC.Cl
InChIInChI=1S/C6H14N2.ClH/c1-4-5-6(7-2)8-3;/h4-5H2,1-3H3,(H,7,8);1H
InChIKeyMKLYPTYZISAMMC-UHFFFAOYSA-N
XLogP1.46
TPSA24.39 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 ≤ 51.46
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

copper;1,1,2,3-tetramethylguanidine;hydrochloride
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1-ethyl-2,3-dimethyl-1-propylguanidine
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N-methylbutanimidoyl bromide
CID 123677307
guanidine;1,1,2,3-tetramethylguanidine
CID 155384700
azane;N-methyl-2-methylidenepentanamide
CID 174850650
heptanoic acid;1,1,2,3-tetramethylguanidine
CID 87627188
butane;N-methylmethanamine;hydrochloride
CID 174856882
N-methylmethanamine;pent-1-en-2-ol
CID 143709294
N,N'-dimethylcarbamimidoyl chloride;hydrochloride
CID 14852963
(4R)-4-amino-5-(4-methoxyphenyl)-N,N'-dimethylpentanimidamide
CID 163437990

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethylbutanimidamide;hydrochloride?
The IUPAC name of N,N'-dimethylbutanimidamide;hydrochloride (CID 139836497) is N,N'-dimethylbutanimidamide;hydrochloride.
What is the SMILES notation for N,N'-dimethylbutanimidamide;hydrochloride?
The canonical SMILES for N,N'-dimethylbutanimidamide;hydrochloride is CCC/C(=N\C)NC.Cl.
What is the InChIKey of N,N'-dimethylbutanimidamide;hydrochloride?
The InChIKey is MKLYPTYZISAMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.ClH/c1-4-5-6(7-2)8-3;/h4-5H2,1-3H3,(H,7,8);1H.
What are the key properties of N,N'-dimethylbutanimidamide;hydrochloride?
N,N'-dimethylbutanimidamide;hydrochloride has a molecular weight of 150.65 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethylbutanimidamide;hydrochloride is sourced from PubChem (CID 139836497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).