N,N-diethylmethanimidamide;hydrochloride

C5H13ClN2 — CID 173131542

IUPACN,N-diethylmethanimidamide;hydrochloride
SMILESCl.[H]/N=C/N(CC)CC
InChIInChI=1S/C5H12N2.ClH/c1-3-7(4-2)5-6;/h5-6H,3-4H2,1-2H3;1H/b6-5+;
InChIKeyGBTSVRPLKGEMIU-IPZCTEOASA-N
MW136.63 g/mol
LogP1.36
Rot. Bonds3

About N,N-diethylmethanimidamide;hydrochloride

N,N-diethylmethanimidamide;hydrochloride (PubChem CID 173131542) has the molecular formula C5H13ClN2 and a molecular weight of 136.63 g/mol. Its IUPAC name is N,N-diethylmethanimidamide;hydrochloride.

Molecular Properties

Compound NameN,N-diethylmethanimidamide;hydrochloride
PubChem CID173131542
Molecular FormulaC5H13ClN2
Molecular Weight136.63 g/mol
Exact Mass136.08
IUPAC NameN,N-diethylmethanimidamide;hydrochloride
SMILESCl.[H]/N=C/N(CC)CC
InChIInChI=1S/C5H12N2.ClH/c1-3-7(4-2)5-6;/h5-6H,3-4H2,1-2H3;1H/b6-5+;
InChIKeyGBTSVRPLKGEMIU-IPZCTEOASA-N
XLogP1.36
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.63
LogP ≤ 51.36
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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Frequently Asked Questions

What is the IUPAC name of N,N-diethylmethanimidamide;hydrochloride?
The IUPAC name of N,N-diethylmethanimidamide;hydrochloride (CID 173131542) is N,N-diethylmethanimidamide;hydrochloride.
What is the SMILES notation for N,N-diethylmethanimidamide;hydrochloride?
The canonical SMILES for N,N-diethylmethanimidamide;hydrochloride is Cl.[H]/N=C/N(CC)CC.
What is the InChIKey of N,N-diethylmethanimidamide;hydrochloride?
The InChIKey is GBTSVRPLKGEMIU-IPZCTEOASA-N. The full InChI is InChI=1S/C5H12N2.ClH/c1-3-7(4-2)5-6;/h5-6H,3-4H2,1-2H3;1H/b6-5+;.
What are the key properties of N,N-diethylmethanimidamide;hydrochloride?
N,N-diethylmethanimidamide;hydrochloride has a molecular weight of 136.63 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylmethanimidamide;hydrochloride is sourced from PubChem (CID 173131542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).