4-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]benzonitrile

C18H24N2 — CID 60678085

IUPAC4-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]benzonitrile
SMILESN#Cc1ccc(CNC2CCC3CCCCC3C2)cc1
InChIInChI=1S/C18H24N2/c19-12-14-5-7-15(8-6-14)13-20-18-10-9-16-3-1-2-4-17(16)11-18/h5-8,16-18,20H,1-4,9-11,13H2
InChIKeyUQJQOMBWAJTLKK-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.01
Rot. Bonds3

About 4-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]benzonitrile

4-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]benzonitrile (PubChem CID 60678085) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]benzonitrile
PubChem CID60678085
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]benzonitrile
SMILESN#Cc1ccc(CNC2CCC3CCCCC3C2)cc1
InChIInChI=1S/C18H24N2/c19-12-14-5-7-15(8-6-14)13-20-18-10-9-16-3-1-2-4-17(16)11-18/h5-8,16-18,20H,1-4,9-11,13H2
InChIKeyUQJQOMBWAJTLKK-UHFFFAOYSA-N
XLogP4.01
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]benzonitrile with MolForge

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Related Compounds

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CID 64501741
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4-[[(3-ethylcyclopentyl)amino]methyl]benzonitrile
CID 64501740
4-[[[3-(hydroxymethyl)cyclohexyl]amino]methyl]benzonitrile
CID 112753314
4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzonitrile
CID 79032302
4-[[[(3S)-pyrrolidin-3-yl]amino]methyl]benzonitrile
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N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-cyanobenzamide
CID 31679594
4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]benzonitrile
CID 43747011
4-[[(1-methylazepan-4-yl)amino]methyl]benzonitrile
CID 65070687
4-[[(1,1-dioxothian-3-yl)amino]methyl]benzonitrile
CID 63924600
4-[[(2-ethylcyclohexyl)amino]methyl]benzonitrile
CID 43709316
4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]benzonitrile
CID 43694345

Frequently Asked Questions

What is the IUPAC name of 4-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]benzonitrile?
The IUPAC name of 4-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]benzonitrile (CID 60678085) is 4-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]benzonitrile.
What is the SMILES notation for 4-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]benzonitrile?
The canonical SMILES for 4-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]benzonitrile is N#Cc1ccc(CNC2CCC3CCCCC3C2)cc1.
What is the InChIKey of 4-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]benzonitrile?
The InChIKey is UQJQOMBWAJTLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c19-12-14-5-7-15(8-6-14)13-20-18-10-9-16-3-1-2-4-17(16)11-18/h5-8,16-18,20H,1-4,9-11,13H2.
What are the key properties of 4-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]benzonitrile?
4-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]benzonitrile has a molecular weight of 268.40 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]benzonitrile is sourced from PubChem (CID 60678085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).