1-amino-3,3-diethyl-4H-naphthalene-2-carbonitrile

C15H18N2 — CID 2964268

IUPAC1-amino-3,3-diethyl-4H-naphthalene-2-carbonitrile
SMILESCCC1(CC)Cc2ccccc2C(N)=C1C#N
InChIInChI=1S/C15H18N2/c1-3-15(4-2)9-11-7-5-6-8-12(11)14(17)13(15)10-16/h5-8H,3-4,9,17H2,1-2H3
InChIKeyQNRJXWDZXGVWST-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.24
Rot. Bonds2

About 1-amino-3,3-diethyl-4H-naphthalene-2-carbonitrile

1-amino-3,3-diethyl-4H-naphthalene-2-carbonitrile (PubChem CID 2964268) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-amino-3,3-diethyl-4H-naphthalene-2-carbonitrile.

Molecular Properties

Compound Name1-amino-3,3-diethyl-4H-naphthalene-2-carbonitrile
PubChem CID2964268
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name1-amino-3,3-diethyl-4H-naphthalene-2-carbonitrile
SMILESCCC1(CC)Cc2ccccc2C(N)=C1C#N
InChIInChI=1S/C15H18N2/c1-3-15(4-2)9-11-7-5-6-8-12(11)14(17)13(15)10-16/h5-8H,3-4,9,17H2,1-2H3
InChIKeyQNRJXWDZXGVWST-UHFFFAOYSA-N
XLogP3.24
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3,3-diethyl-4H-naphthalene-2-carbonitrile?
The IUPAC name of 1-amino-3,3-diethyl-4H-naphthalene-2-carbonitrile (CID 2964268) is 1-amino-3,3-diethyl-4H-naphthalene-2-carbonitrile.
What is the SMILES notation for 1-amino-3,3-diethyl-4H-naphthalene-2-carbonitrile?
The canonical SMILES for 1-amino-3,3-diethyl-4H-naphthalene-2-carbonitrile is CCC1(CC)Cc2ccccc2C(N)=C1C#N.
What is the InChIKey of 1-amino-3,3-diethyl-4H-naphthalene-2-carbonitrile?
The InChIKey is QNRJXWDZXGVWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-3-15(4-2)9-11-7-5-6-8-12(11)14(17)13(15)10-16/h5-8H,3-4,9,17H2,1-2H3.
What are the key properties of 1-amino-3,3-diethyl-4H-naphthalene-2-carbonitrile?
1-amino-3,3-diethyl-4H-naphthalene-2-carbonitrile has a molecular weight of 226.32 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3,3-diethyl-4H-naphthalene-2-carbonitrile is sourced from PubChem (CID 2964268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).