2-(cycloheptylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile

C18H24N2 — CID 60997796

IUPAC2-(cycloheptylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile
SMILESN#CC1(NC2CCCCCC2)CCc2ccccc2C1
InChIInChI=1S/C18H24N2/c19-14-18(20-17-9-3-1-2-4-10-17)12-11-15-7-5-6-8-16(15)13-18/h5-8,17,20H,1-4,9-13H2
InChIKeyFEPYBAMDRVFIRR-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.75
Rot. Bonds2

About 2-(cycloheptylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile

2-(cycloheptylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile (PubChem CID 60997796) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(cycloheptylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile.

Molecular Properties

Compound Name2-(cycloheptylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile
PubChem CID60997796
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-(cycloheptylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile
SMILESN#CC1(NC2CCCCCC2)CCc2ccccc2C1
InChIInChI=1S/C18H24N2/c19-14-18(20-17-9-3-1-2-4-10-17)12-11-15-7-5-6-8-16(15)13-18/h5-8,17,20H,1-4,9-13H2
InChIKeyFEPYBAMDRVFIRR-UHFFFAOYSA-N
XLogP3.75
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The IUPAC name of 2-(cycloheptylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile (CID 60997796) is 2-(cycloheptylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile.
What is the SMILES notation for 2-(cycloheptylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The canonical SMILES for 2-(cycloheptylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile is N#CC1(NC2CCCCCC2)CCc2ccccc2C1.
What is the InChIKey of 2-(cycloheptylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The InChIKey is FEPYBAMDRVFIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c19-14-18(20-17-9-3-1-2-4-10-17)12-11-15-7-5-6-8-16(15)13-18/h5-8,17,20H,1-4,9-13H2.
What are the key properties of 2-(cycloheptylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile?
2-(cycloheptylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile has a molecular weight of 268.40 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile is sourced from PubChem (CID 60997796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).