8-[(1R)-1-aminoethyl]naphthalene-2-carbonitrile;hydrochloride

C13H13ClN2 — CID 121237512

IUPAC8-[(1R)-1-aminoethyl]naphthalene-2-carbonitrile;hydrochloride
SMILESC[C@@H](N)c1cccc2ccc(C#N)cc12.Cl
InChIInChI=1S/C13H12N2.ClH/c1-9(15)12-4-2-3-11-6-5-10(8-14)7-13(11)12;/h2-7,9H,15H2,1H3;1H/t9-;/m1./s1
InChIKeyBVNQQIMZQGEONB-SBSPUUFOSA-N
MW232.71 g/mol
LogP3.15
Rot. Bonds1

About 8-[(1R)-1-aminoethyl]naphthalene-2-carbonitrile;hydrochloride

8-[(1R)-1-aminoethyl]naphthalene-2-carbonitrile;hydrochloride (PubChem CID 121237512) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 8-[(1R)-1-aminoethyl]naphthalene-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Name8-[(1R)-1-aminoethyl]naphthalene-2-carbonitrile;hydrochloride
PubChem CID121237512
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name8-[(1R)-1-aminoethyl]naphthalene-2-carbonitrile;hydrochloride
SMILESC[C@@H](N)c1cccc2ccc(C#N)cc12.Cl
InChIInChI=1S/C13H12N2.ClH/c1-9(15)12-4-2-3-11-6-5-10(8-14)7-13(11)12;/h2-7,9H,15H2,1H3;1H/t9-;/m1./s1
InChIKeyBVNQQIMZQGEONB-SBSPUUFOSA-N
XLogP3.15
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-methoxynaphthalen-1-yl)ethanamine
CID 20542005
deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747
3-[(1R)-1-aminoethyl]-4-hydroxybenzonitrile
CID 121233508
8-prop-1-en-2-ylnaphthalene-2-carbonitrile
CID 22627618
4-[(1R)-1-aminoethyl]-3-methoxybenzonitrile
CID 130815780
4-(1-aminoethyl)-3-methoxybenzonitrile
CID 130000093
3-[(1R)-1-aminoethyl]-1H-indole-6-carbonitrile
CID 107917700
2-(1-aminoethyl)-6-methylbenzonitrile;hydrochloride
CID 175574482
3-[(2R)-2-aminopropyl]benzonitrile
CID 130739273
4-[[2-(1-aminoethyl)phenoxy]methyl]-3-methylbenzonitrile
CID 114479449
2-[(1R)-1-aminoethyl]-5-cyanobenzoic acid
CID 131081776
8-nitronaphthalene-2-carbonitrile
CID 12060830

Frequently Asked Questions

What is the IUPAC name of 8-[(1R)-1-aminoethyl]naphthalene-2-carbonitrile;hydrochloride?
The IUPAC name of 8-[(1R)-1-aminoethyl]naphthalene-2-carbonitrile;hydrochloride (CID 121237512) is 8-[(1R)-1-aminoethyl]naphthalene-2-carbonitrile;hydrochloride.
What is the SMILES notation for 8-[(1R)-1-aminoethyl]naphthalene-2-carbonitrile;hydrochloride?
The canonical SMILES for 8-[(1R)-1-aminoethyl]naphthalene-2-carbonitrile;hydrochloride is C[C@@H](N)c1cccc2ccc(C#N)cc12.Cl.
What is the InChIKey of 8-[(1R)-1-aminoethyl]naphthalene-2-carbonitrile;hydrochloride?
The InChIKey is BVNQQIMZQGEONB-SBSPUUFOSA-N. The full InChI is InChI=1S/C13H12N2.ClH/c1-9(15)12-4-2-3-11-6-5-10(8-14)7-13(11)12;/h2-7,9H,15H2,1H3;1H/t9-;/m1./s1.
What are the key properties of 8-[(1R)-1-aminoethyl]naphthalene-2-carbonitrile;hydrochloride?
8-[(1R)-1-aminoethyl]naphthalene-2-carbonitrile;hydrochloride has a molecular weight of 232.71 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R)-1-aminoethyl]naphthalene-2-carbonitrile;hydrochloride is sourced from PubChem (CID 121237512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).