azane;N'-(1,3-dichloropropan-2-yl)-N,N-dimethylmethanimidamide

C6H15Cl2N3 — CID 87509141

IUPACazane;N'-(1,3-dichloropropan-2-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/C(CCl)CCl.N
InChIInChI=1S/C6H12Cl2N2.H3N/c1-10(2)5-9-6(3-7)4-8;/h5-6H,3-4H2,1-2H3;1H3/b9-5+;
InChIKeyAPNAQOBPDGLMOS-SZKNIZGXSA-N
MW200.11 g/mol
LogP1.58
Rot. Bonds4

About azane;N'-(1,3-dichloropropan-2-yl)-N,N-dimethylmethanimidamide

azane;N'-(1,3-dichloropropan-2-yl)-N,N-dimethylmethanimidamide (PubChem CID 87509141) has the molecular formula C6H15Cl2N3 and a molecular weight of 200.11 g/mol. Its IUPAC name is azane;N'-(1,3-dichloropropan-2-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound Nameazane;N'-(1,3-dichloropropan-2-yl)-N,N-dimethylmethanimidamide
PubChem CID87509141
Molecular FormulaC6H15Cl2N3
Molecular Weight200.11 g/mol
Exact Mass199.06
IUPAC Nameazane;N'-(1,3-dichloropropan-2-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/C(CCl)CCl.N
InChIInChI=1S/C6H12Cl2N2.H3N/c1-10(2)5-9-6(3-7)4-8;/h5-6H,3-4H2,1-2H3;1H3/b9-5+;
InChIKeyAPNAQOBPDGLMOS-SZKNIZGXSA-N
XLogP1.58
TPSA50.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.11
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 azane;N'-(1,3-dichloropropan-2-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of azane;N'-(1,3-dichloropropan-2-yl)-N,N-dimethylmethanimidamide (CID 87509141) is azane;N'-(1,3-dichloropropan-2-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for azane;N'-(1,3-dichloropropan-2-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for azane;N'-(1,3-dichloropropan-2-yl)-N,N-dimethylmethanimidamide is CN(C)/C=N/C(CCl)CCl.N.
What is the InChIKey of azane;N'-(1,3-dichloropropan-2-yl)-N,N-dimethylmethanimidamide?
The InChIKey is APNAQOBPDGLMOS-SZKNIZGXSA-N. The full InChI is InChI=1S/C6H12Cl2N2.H3N/c1-10(2)5-9-6(3-7)4-8;/h5-6H,3-4H2,1-2H3;1H3/b9-5+;.
What are the key properties of azane;N'-(1,3-dichloropropan-2-yl)-N,N-dimethylmethanimidamide?
azane;N'-(1,3-dichloropropan-2-yl)-N,N-dimethylmethanimidamide has a molecular weight of 200.11 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N'-(1,3-dichloropropan-2-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 87509141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).