acetonitrile;N,N-dimethylpyridin-4-amine

C9H13N3 — CID 160806419

IUPACacetonitrile;N,N-dimethylpyridin-4-amine
SMILESCC#N.CN(C)c1ccncc1
InChIInChI=1S/C7H10N2.C2H3N/c1-9(2)7-3-5-8-6-4-7;1-2-3/h3-6H,1-2H3;1H3
InChIKeySDTAGXVLKGSKPC-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.68
Rot. Bonds1

About acetonitrile;N,N-dimethylpyridin-4-amine

acetonitrile;N,N-dimethylpyridin-4-amine (PubChem CID 160806419) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is acetonitrile;N,N-dimethylpyridin-4-amine.

Molecular Properties

Compound Nameacetonitrile;N,N-dimethylpyridin-4-amine
PubChem CID160806419
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Nameacetonitrile;N,N-dimethylpyridin-4-amine
SMILESCC#N.CN(C)c1ccncc1
InChIInChI=1S/C7H10N2.C2H3N/c1-9(2)7-3-5-8-6-4-7;1-2-3/h3-6H,1-2H3;1H3
InChIKeySDTAGXVLKGSKPC-UHFFFAOYSA-N
XLogP1.68
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;N,N-dimethylpyridin-4-amine?
The IUPAC name of acetonitrile;N,N-dimethylpyridin-4-amine (CID 160806419) is acetonitrile;N,N-dimethylpyridin-4-amine.
What is the SMILES notation for acetonitrile;N,N-dimethylpyridin-4-amine?
The canonical SMILES for acetonitrile;N,N-dimethylpyridin-4-amine is CC#N.CN(C)c1ccncc1.
What is the InChIKey of acetonitrile;N,N-dimethylpyridin-4-amine?
The InChIKey is SDTAGXVLKGSKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C2H3N/c1-9(2)7-3-5-8-6-4-7;1-2-3/h3-6H,1-2H3;1H3.
What are the key properties of acetonitrile;N,N-dimethylpyridin-4-amine?
acetonitrile;N,N-dimethylpyridin-4-amine has a molecular weight of 163.22 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;N,N-dimethylpyridin-4-amine is sourced from PubChem (CID 160806419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).