5-(cyclohexylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carbonitrile

C18H24N2 — CID 60998375

IUPAC5-(cyclohexylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carbonitrile
SMILESN#CC1(NC2CCCCC2)CCCCc2ccccc21
InChIInChI=1S/C18H24N2/c19-14-18(20-16-10-2-1-3-11-16)13-7-6-9-15-8-4-5-12-17(15)18/h4-5,8,12,16,20H,1-3,6-7,9-11,13H2
InChIKeyBNAUQWGLTBNMFJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.05
Rot. Bonds2

About 5-(cyclohexylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carbonitrile

5-(cyclohexylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carbonitrile (PubChem CID 60998375) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 5-(cyclohexylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carbonitrile.

Molecular Properties

Compound Name5-(cyclohexylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carbonitrile
PubChem CID60998375
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name5-(cyclohexylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carbonitrile
SMILESN#CC1(NC2CCCCC2)CCCCc2ccccc21
InChIInChI=1S/C18H24N2/c19-14-18(20-16-10-2-1-3-11-16)13-7-6-9-15-8-4-5-12-17(15)18/h4-5,8,12,16,20H,1-3,6-7,9-11,13H2
InChIKeyBNAUQWGLTBNMFJ-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile
CID 83066660
2-(cycloheptylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 60997796
1-(cyclopropylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile
CID 83065299
[1-(cycloheptylamino)-2,3-dihydroinden-1-yl]methanol
CID 61054556
1-anilino-2,3-dihydroindene-1-carbonitrile
CID 12740114
1-(butan-2-ylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 54908045
1-[cycloheptyl(hydroxy)methyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79124090
1-(cyclopentylamino)-2,3-dihydroindene-1-carboxylic acid
CID 61001988
1-(thiophen-2-ylmethylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 54886964
methyl 1-(cyclohexylamino)-2,3-dihydroindene-1-carboxylate
CID 60998070
1-(cycloheptylamino)cyclooctane-1-carbonitrile
CID 54894299
1-(1-hydroxycyclopentyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79130898

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carbonitrile?
The IUPAC name of 5-(cyclohexylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carbonitrile (CID 60998375) is 5-(cyclohexylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carbonitrile.
What is the SMILES notation for 5-(cyclohexylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carbonitrile?
The canonical SMILES for 5-(cyclohexylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carbonitrile is N#CC1(NC2CCCCC2)CCCCc2ccccc21.
What is the InChIKey of 5-(cyclohexylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carbonitrile?
The InChIKey is BNAUQWGLTBNMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c19-14-18(20-16-10-2-1-3-11-16)13-7-6-9-15-8-4-5-12-17(15)18/h4-5,8,12,16,20H,1-3,6-7,9-11,13H2.
What are the key properties of 5-(cyclohexylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carbonitrile?
5-(cyclohexylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carbonitrile has a molecular weight of 268.40 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carbonitrile is sourced from PubChem (CID 60998375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).