4-(aminomethyl)naphthalene-1-carbonitrile;hydrochloride

C12H11ClN2 — CID 22476058

IUPAC4-(aminomethyl)naphthalene-1-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccc(CN)c2ccccc12
InChIInChI=1S/C12H10N2.ClH/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12;/h1-6H,7,13H2;1H
InChIKeyOIHAIGYNNYWCMV-UHFFFAOYSA-N
MW218.69 g/mol
LogP2.59
Rot. Bonds1

About 4-(aminomethyl)naphthalene-1-carbonitrile;hydrochloride

4-(aminomethyl)naphthalene-1-carbonitrile;hydrochloride (PubChem CID 22476058) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 4-(aminomethyl)naphthalene-1-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)naphthalene-1-carbonitrile;hydrochloride
PubChem CID22476058
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name4-(aminomethyl)naphthalene-1-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccc(CN)c2ccccc12
InChIInChI=1S/C12H10N2.ClH/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12;/h1-6H,7,13H2;1H
InChIKeyOIHAIGYNNYWCMV-UHFFFAOYSA-N
XLogP2.59
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)naphthalene-1-carbonitrile;hydrochloride?
The IUPAC name of 4-(aminomethyl)naphthalene-1-carbonitrile;hydrochloride (CID 22476058) is 4-(aminomethyl)naphthalene-1-carbonitrile;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)naphthalene-1-carbonitrile;hydrochloride?
The canonical SMILES for 4-(aminomethyl)naphthalene-1-carbonitrile;hydrochloride is Cl.N#Cc1ccc(CN)c2ccccc12.
What is the InChIKey of 4-(aminomethyl)naphthalene-1-carbonitrile;hydrochloride?
The InChIKey is OIHAIGYNNYWCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2.ClH/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12;/h1-6H,7,13H2;1H.
What are the key properties of 4-(aminomethyl)naphthalene-1-carbonitrile;hydrochloride?
4-(aminomethyl)naphthalene-1-carbonitrile;hydrochloride has a molecular weight of 218.69 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)naphthalene-1-carbonitrile;hydrochloride is sourced from PubChem (CID 22476058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).