1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile

C16H18N2 — CID 602851

IUPAC1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile
SMILESN#CC1=C(N)c2ccccc2CC12CCCCC2
InChIInChI=1S/C16H18N2/c17-11-14-15(18)13-7-3-2-6-12(13)10-16(14)8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-10,18H2
InChIKeyBQFBUBHGZRINAO-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.39
Rot. Bonds

About 1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile

1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile (PubChem CID 602851) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile.

Molecular Properties

Compound Name1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile
PubChem CID602851
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile
SMILESN#CC1=C(N)c2ccccc2CC12CCCCC2
InChIInChI=1S/C16H18N2/c17-11-14-15(18)13-7-3-2-6-12(13)10-16(14)8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-10,18H2
InChIKeyBQFBUBHGZRINAO-UHFFFAOYSA-N
XLogP3.39
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile?
The IUPAC name of 1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile (CID 602851) is 1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile.
What is the SMILES notation for 1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile?
The canonical SMILES for 1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile is N#CC1=C(N)c2ccccc2CC12CCCCC2.
What is the InChIKey of 1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile?
The InChIKey is BQFBUBHGZRINAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c17-11-14-15(18)13-7-3-2-6-12(13)10-16(14)8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-10,18H2.
What are the key properties of 1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile?
1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile has a molecular weight of 238.33 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile is sourced from PubChem (CID 602851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).