4-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]cyclohexane-1-carbonitrile

C18H24N2 — CID 115150200

IUPAC4-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]cyclohexane-1-carbonitrile
SMILESCN(Cc1ccc2c(c1)CCC2)C1CCC(C#N)CC1
InChIInChI=1S/C18H24N2/c1-20(18-9-6-14(12-19)7-10-18)13-15-5-8-16-3-2-4-17(16)11-15/h5,8,11,14,18H,2-4,6-7,9-10,13H2,1H3
InChIKeySGRITCUHNTZFNV-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.69
Rot. Bonds3

About 4-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]cyclohexane-1-carbonitrile

4-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]cyclohexane-1-carbonitrile (PubChem CID 115150200) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]cyclohexane-1-carbonitrile
PubChem CID115150200
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]cyclohexane-1-carbonitrile
SMILESCN(Cc1ccc2c(c1)CCC2)C1CCC(C#N)CC1
InChIInChI=1S/C18H24N2/c1-20(18-9-6-14(12-19)7-10-18)13-15-5-8-16-3-2-4-17(16)11-15/h5,8,11,14,18H,2-4,6-7,9-10,13H2,1H3
InChIKeySGRITCUHNTZFNV-UHFFFAOYSA-N
XLogP3.69
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-oxothian-4-amine
CID 75512591
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylcyclopropanamine
CID 103998027
4-[methyl(pyridin-3-ylmethyl)amino]cyclohexane-1-carbonitrile
CID 115150222
2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylcyclohexan-1-amine
CID 102637515
1-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine
CID 115117484
N-(2-bromoethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopropanamine
CID 80669807
2-cyano-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylbutanamide
CID 115188347
[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]methanethiol
CID 115228031
N'-(2,3-dihydro-1H-inden-5-ylmethyl)-N,N'-dimethylmethanediamine
CID 115226970
5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile
CID 65344253
2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile
CID 116927629
2,3-dihydro-1H-inden-5-ylmethyl(methyl)carbamothioic S-acid
CID 115170087

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 4-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]cyclohexane-1-carbonitrile (CID 115150200) is 4-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]cyclohexane-1-carbonitrile is CN(Cc1ccc2c(c1)CCC2)C1CCC(C#N)CC1.
What is the InChIKey of 4-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]cyclohexane-1-carbonitrile?
The InChIKey is SGRITCUHNTZFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-20(18-9-6-14(12-19)7-10-18)13-15-5-8-16-3-2-4-17(16)11-15/h5,8,11,14,18H,2-4,6-7,9-10,13H2,1H3.
What are the key properties of 4-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]cyclohexane-1-carbonitrile?
4-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]cyclohexane-1-carbonitrile has a molecular weight of 268.40 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 115150200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).