3-[(spiro[4.5]decan-8-ylamino)methyl]benzonitrile

C18H24N2 — CID 114817461

IUPAC3-[(spiro[4.5]decan-8-ylamino)methyl]benzonitrile
SMILESN#Cc1cccc(CNC2CCC3(CCCC3)CC2)c1
InChIInChI=1S/C18H24N2/c19-13-15-4-3-5-16(12-15)14-20-17-6-10-18(11-7-17)8-1-2-9-18/h3-5,12,17,20H,1-2,6-11,14H2
InChIKeyMWZUMWDBALEZBF-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.15
Rot. Bonds3

About 3-[(spiro[4.5]decan-8-ylamino)methyl]benzonitrile

3-[(spiro[4.5]decan-8-ylamino)methyl]benzonitrile (PubChem CID 114817461) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-[(spiro[4.5]decan-8-ylamino)methyl]benzonitrile.

Molecular Properties

Compound Name3-[(spiro[4.5]decan-8-ylamino)methyl]benzonitrile
PubChem CID114817461
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name3-[(spiro[4.5]decan-8-ylamino)methyl]benzonitrile
SMILESN#Cc1cccc(CNC2CCC3(CCCC3)CC2)c1
InChIInChI=1S/C18H24N2/c19-13-15-4-3-5-16(12-15)14-20-17-6-10-18(11-7-17)8-1-2-9-18/h3-5,12,17,20H,1-2,6-11,14H2
InChIKeyMWZUMWDBALEZBF-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 103981588
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3-[[[4-(cyanomethyl)cyclohexyl]amino]methyl]benzonitrile;propane
CID 145394544
3-[[[(1R,2S)-2-hydroxycyclohexyl]amino]methyl]benzonitrile
CID 93355798
3-[[(2-hydroxycyclohexyl)amino]methyl]benzonitrile
CID 55024109
3-[(spiro[5.5]undecan-3-ylamino)methyl]benzoic acid
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3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzonitrile
CID 54936607
3-[[[(1S,2R)-2-tert-butylcyclohexyl]amino]methyl]benzonitrile
CID 51683301
3-[[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]benzonitrile
CID 56814886
3-[[(2,3-dimethylcyclopentyl)amino]methyl]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 3-[(spiro[4.5]decan-8-ylamino)methyl]benzonitrile?
The IUPAC name of 3-[(spiro[4.5]decan-8-ylamino)methyl]benzonitrile (CID 114817461) is 3-[(spiro[4.5]decan-8-ylamino)methyl]benzonitrile.
What is the SMILES notation for 3-[(spiro[4.5]decan-8-ylamino)methyl]benzonitrile?
The canonical SMILES for 3-[(spiro[4.5]decan-8-ylamino)methyl]benzonitrile is N#Cc1cccc(CNC2CCC3(CCCC3)CC2)c1.
What is the InChIKey of 3-[(spiro[4.5]decan-8-ylamino)methyl]benzonitrile?
The InChIKey is MWZUMWDBALEZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c19-13-15-4-3-5-16(12-15)14-20-17-6-10-18(11-7-17)8-1-2-9-18/h3-5,12,17,20H,1-2,6-11,14H2.
What are the key properties of 3-[(spiro[4.5]decan-8-ylamino)methyl]benzonitrile?
3-[(spiro[4.5]decan-8-ylamino)methyl]benzonitrile has a molecular weight of 268.40 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(spiro[4.5]decan-8-ylamino)methyl]benzonitrile is sourced from PubChem (CID 114817461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).