3-[2,3-dihydro-1H-inden-5-yl(methyl)amino]propanenitrile

C13H16N2 — CID 115230731

IUPAC3-[2,3-dihydro-1H-inden-5-yl(methyl)amino]propanenitrile
SMILESCN(CCC#N)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H16N2/c1-15(9-3-8-14)13-7-6-11-4-2-5-12(11)10-13/h6-7,10H,2-5,9H2,1H3
InChIKeyFOKYKCNQOWPEKF-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.53
Rot. Bonds3

About 3-[2,3-dihydro-1H-inden-5-yl(methyl)amino]propanenitrile

3-[2,3-dihydro-1H-inden-5-yl(methyl)amino]propanenitrile (PubChem CID 115230731) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-[2,3-dihydro-1H-inden-5-yl(methyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2,3-dihydro-1H-inden-5-yl(methyl)amino]propanenitrile
PubChem CID115230731
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name3-[2,3-dihydro-1H-inden-5-yl(methyl)amino]propanenitrile
SMILESCN(CCC#N)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H16N2/c1-15(9-3-8-14)13-7-6-11-4-2-5-12(11)10-13/h6-7,10H,2-5,9H2,1H3
InChIKeyFOKYKCNQOWPEKF-UHFFFAOYSA-N
XLogP2.53
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-methylamino]propanenitrile
CID 115230821
3-[2,3-dihydro-1H-inden-5-yl(methyl)amino]propane-1-thiol
CID 115224698
N-(3-chloropropyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115215476
N-(methoxymethyl)-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 115258329
3-[[2,3-dihydro-1H-inden-5-yl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115247864
2-[2,3-dihydro-1H-inden-5-yl(methyl)amino]-2-methylpropanenitrile
CID 115129107
N-ethyl-N'-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 115205672
N-(methoxymethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115258314
methyl 4-[2,3-dihydro-1H-inden-5-yl(methyl)amino]butanoate
CID 115233351
1-cyano-N-(2,3-dihydro-1H-inden-5-yl)-N-methylformamide
CID 115171972
N-(2-cyanoethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 60699391
N-(2-cyanoethyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 55384022

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dihydro-1H-inden-5-yl(methyl)amino]propanenitrile?
The IUPAC name of 3-[2,3-dihydro-1H-inden-5-yl(methyl)amino]propanenitrile (CID 115230731) is 3-[2,3-dihydro-1H-inden-5-yl(methyl)amino]propanenitrile.
What is the SMILES notation for 3-[2,3-dihydro-1H-inden-5-yl(methyl)amino]propanenitrile?
The canonical SMILES for 3-[2,3-dihydro-1H-inden-5-yl(methyl)amino]propanenitrile is CN(CCC#N)c1ccc2c(c1)CCC2.
What is the InChIKey of 3-[2,3-dihydro-1H-inden-5-yl(methyl)amino]propanenitrile?
The InChIKey is FOKYKCNQOWPEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-15(9-3-8-14)13-7-6-11-4-2-5-12(11)10-13/h6-7,10H,2-5,9H2,1H3.
What are the key properties of 3-[2,3-dihydro-1H-inden-5-yl(methyl)amino]propanenitrile?
3-[2,3-dihydro-1H-inden-5-yl(methyl)amino]propanenitrile has a molecular weight of 200.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-dihydro-1H-inden-5-yl(methyl)amino]propanenitrile is sourced from PubChem (CID 115230731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).