N,N-dimethylformamide;propanimidamide;hydrochloride

C6H16ClN3O — CID 160949006

IUPACN,N-dimethylformamide;propanimidamide;hydrochloride
SMILESCN(C)C=O.Cl.[H]/N=C(/N)CC
InChIInChI=1S/C3H8N2.C3H7NO.ClH/c1-2-3(4)5;1-4(2)3-5;/h2H2,1H3,(H3,4,5);3H,1-2H3;1H
InChIKeySXCSNQJCXDOUQF-UHFFFAOYSA-N
MW181.67 g/mol
LogP0.46
Rot. Bonds2

About N,N-dimethylformamide;propanimidamide;hydrochloride

N,N-dimethylformamide;propanimidamide;hydrochloride (PubChem CID 160949006) has the molecular formula C6H16ClN3O and a molecular weight of 181.67 g/mol. Its IUPAC name is N,N-dimethylformamide;propanimidamide;hydrochloride.

Molecular Properties

Compound NameN,N-dimethylformamide;propanimidamide;hydrochloride
PubChem CID160949006
Molecular FormulaC6H16ClN3O
Molecular Weight181.67 g/mol
Exact Mass181.10
IUPAC NameN,N-dimethylformamide;propanimidamide;hydrochloride
SMILESCN(C)C=O.Cl.[H]/N=C(/N)CC
InChIInChI=1S/C3H8N2.C3H7NO.ClH/c1-2-3(4)5;1-4(2)3-5;/h2H2,1H3,(H3,4,5);3H,1-2H3;1H
InChIKeySXCSNQJCXDOUQF-UHFFFAOYSA-N
XLogP0.46
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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3-(dimethylamino)propanimidamide;dihydrochloride
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CID 159352431
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CID 118917996
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3-(diethylamino)propanimidamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;propanimidamide;hydrochloride?
The IUPAC name of N,N-dimethylformamide;propanimidamide;hydrochloride (CID 160949006) is N,N-dimethylformamide;propanimidamide;hydrochloride.
What is the SMILES notation for N,N-dimethylformamide;propanimidamide;hydrochloride?
The canonical SMILES for N,N-dimethylformamide;propanimidamide;hydrochloride is CN(C)C=O.Cl.[H]/N=C(/N)CC.
What is the InChIKey of N,N-dimethylformamide;propanimidamide;hydrochloride?
The InChIKey is SXCSNQJCXDOUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2.C3H7NO.ClH/c1-2-3(4)5;1-4(2)3-5;/h2H2,1H3,(H3,4,5);3H,1-2H3;1H.
What are the key properties of N,N-dimethylformamide;propanimidamide;hydrochloride?
N,N-dimethylformamide;propanimidamide;hydrochloride has a molecular weight of 181.67 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;propanimidamide;hydrochloride is sourced from PubChem (CID 160949006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).