4,5-bis(dimethylamino)naphthalene-1-carbonitrile

C15H17N3 — CID 2327119

IUPAC4,5-bis(dimethylamino)naphthalene-1-carbonitrile
SMILESCN(C)c1cccc2c(C#N)ccc(N(C)C)c12
InChIInChI=1S/C15H17N3/c1-17(2)13-7-5-6-12-11(10-16)8-9-14(15(12)13)18(3)4/h5-9H,1-4H3
InChIKeyZZJPUYGHSRTAPO-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.84
Rot. Bonds2

About 4,5-bis(dimethylamino)naphthalene-1-carbonitrile

4,5-bis(dimethylamino)naphthalene-1-carbonitrile (PubChem CID 2327119) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4,5-bis(dimethylamino)naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4,5-bis(dimethylamino)naphthalene-1-carbonitrile
PubChem CID2327119
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name4,5-bis(dimethylamino)naphthalene-1-carbonitrile
SMILESCN(C)c1cccc2c(C#N)ccc(N(C)C)c12
InChIInChI=1S/C15H17N3/c1-17(2)13-7-5-6-12-11(10-16)8-9-14(15(12)13)18(3)4/h5-9H,1-4H3
InChIKeyZZJPUYGHSRTAPO-UHFFFAOYSA-N
XLogP2.84
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(dimethylamino)naphthalene-1-carbonitrile?
The IUPAC name of 4,5-bis(dimethylamino)naphthalene-1-carbonitrile (CID 2327119) is 4,5-bis(dimethylamino)naphthalene-1-carbonitrile.
What is the SMILES notation for 4,5-bis(dimethylamino)naphthalene-1-carbonitrile?
The canonical SMILES for 4,5-bis(dimethylamino)naphthalene-1-carbonitrile is CN(C)c1cccc2c(C#N)ccc(N(C)C)c12.
What is the InChIKey of 4,5-bis(dimethylamino)naphthalene-1-carbonitrile?
The InChIKey is ZZJPUYGHSRTAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-17(2)13-7-5-6-12-11(10-16)8-9-14(15(12)13)18(3)4/h5-9H,1-4H3.
What are the key properties of 4,5-bis(dimethylamino)naphthalene-1-carbonitrile?
4,5-bis(dimethylamino)naphthalene-1-carbonitrile has a molecular weight of 239.32 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(dimethylamino)naphthalene-1-carbonitrile is sourced from PubChem (CID 2327119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).