6-(4-aminobutoxy)naphthalene-2-carbonitrile

C15H16N2O — CID 71373025

IUPAC6-(4-aminobutoxy)naphthalene-2-carbonitrile
SMILESN#Cc1ccc2cc(OCCCCN)ccc2c1
InChIInChI=1S/C15H16N2O/c16-7-1-2-8-18-15-6-5-13-9-12(11-17)3-4-14(13)10-15/h3-6,9-10H,1-2,7-8,16H2
InChIKeyJYPMTBNMLBIRKB-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.83
Rot. Bonds5

About 6-(4-aminobutoxy)naphthalene-2-carbonitrile

6-(4-aminobutoxy)naphthalene-2-carbonitrile (PubChem CID 71373025) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-(4-aminobutoxy)naphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-(4-aminobutoxy)naphthalene-2-carbonitrile
PubChem CID71373025
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name6-(4-aminobutoxy)naphthalene-2-carbonitrile
SMILESN#Cc1ccc2cc(OCCCCN)ccc2c1
InChIInChI=1S/C15H16N2O/c16-7-1-2-8-18-15-6-5-13-9-12(11-17)3-4-14(13)10-15/h3-6,9-10H,1-2,7-8,16H2
InChIKeyJYPMTBNMLBIRKB-UHFFFAOYSA-N
XLogP2.83
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-aminobutoxy)phenyl]benzonitrile
CID 19035301
6-(2-methylpropoxy)naphthalene-2-carbonitrile
CID 121256525
4-(6-butoxynaphthalen-2-yl)benzonitrile
CID 13450021
6-(6-cyanonaphthalen-2-yl)oxyhexyl 3,5-dinitrobenzoate
CID 151895809
4-[2-(2-aminoethylamino)ethoxy]benzonitrile
CID 69276381
3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737
8-(4-methoxyphenoxy)octan-1-amine
CID 90318886
4-[4-[7-[4-[4-[7-[4-(4-cyanophenyl)phenoxy]heptoxy]phenyl]phenoxy]heptoxy]phenyl]benzonitrile
CID 15322371
2-octoxy-6-[2-(6-octoxynaphthalen-2-yl)ethynyl]naphthalene
CID 102591581
2-[2-(6-cyanonaphthalen-2-yl)oxyethoxy]ethyl 2-tert-butyl-2,3,3-trimethylbutanoate
CID 71067374
3-[4-[2-[3,5-bis[2-[4-(3-aminopropoxy)phenyl]ethynyl]phenyl]ethynyl]phenoxy]propan-1-amine
CID 122211847
6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile
CID 23224654

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminobutoxy)naphthalene-2-carbonitrile?
The IUPAC name of 6-(4-aminobutoxy)naphthalene-2-carbonitrile (CID 71373025) is 6-(4-aminobutoxy)naphthalene-2-carbonitrile.
What is the SMILES notation for 6-(4-aminobutoxy)naphthalene-2-carbonitrile?
The canonical SMILES for 6-(4-aminobutoxy)naphthalene-2-carbonitrile is N#Cc1ccc2cc(OCCCCN)ccc2c1.
What is the InChIKey of 6-(4-aminobutoxy)naphthalene-2-carbonitrile?
The InChIKey is JYPMTBNMLBIRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c16-7-1-2-8-18-15-6-5-13-9-12(11-17)3-4-14(13)10-15/h3-6,9-10H,1-2,7-8,16H2.
What are the key properties of 6-(4-aminobutoxy)naphthalene-2-carbonitrile?
6-(4-aminobutoxy)naphthalene-2-carbonitrile has a molecular weight of 240.31 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminobutoxy)naphthalene-2-carbonitrile is sourced from PubChem (CID 71373025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).