4-(2,3-dihydro-1H-inden-5-yl)-4-(methylamino)butanenitrile

C14H18N2 — CID 116955267

IUPAC4-(2,3-dihydro-1H-inden-5-yl)-4-(methylamino)butanenitrile
SMILESCNC(CCC#N)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H18N2/c1-16-14(6-3-9-15)13-8-7-11-4-2-5-12(11)10-13/h7-8,10,14,16H,2-6H2,1H3
InChIKeyUDIXQNIZSGLDAK-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.74
Rot. Bonds4

About 4-(2,3-dihydro-1H-inden-5-yl)-4-(methylamino)butanenitrile

4-(2,3-dihydro-1H-inden-5-yl)-4-(methylamino)butanenitrile (PubChem CID 116955267) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yl)-4-(methylamino)butanenitrile.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yl)-4-(methylamino)butanenitrile
PubChem CID116955267
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4-(2,3-dihydro-1H-inden-5-yl)-4-(methylamino)butanenitrile
SMILESCNC(CCC#N)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H18N2/c1-16-14(6-3-9-15)13-8-7-11-4-2-5-12(11)10-13/h7-8,10,14,16H,2-6H2,1H3
InChIKeyUDIXQNIZSGLDAK-UHFFFAOYSA-N
XLogP2.74
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol
CID 116952908
N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 116949253
3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanenitrile
CID 43207724
3-cyclopentyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
CID 43480658
1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 116961881
2-cyclobutyl-1-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115863683
2-[2,3-dihydro-1H-inden-5-yl(methylamino)methyl]butanenitrile
CID 116960523
1-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-N-methylbutan-1-amine
CID 114194469
methyl 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
CID 116955498
2-(2,3-dihydro-1H-inden-5-yl)pentanenitrile
CID 82076345
1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylbutane-1,4-diamine
CID 116949561
1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63507191

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-4-(methylamino)butanenitrile?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-4-(methylamino)butanenitrile (CID 116955267) is 4-(2,3-dihydro-1H-inden-5-yl)-4-(methylamino)butanenitrile.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yl)-4-(methylamino)butanenitrile?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yl)-4-(methylamino)butanenitrile is CNC(CCC#N)c1ccc2c(c1)CCC2.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yl)-4-(methylamino)butanenitrile?
The InChIKey is UDIXQNIZSGLDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-16-14(6-3-9-15)13-8-7-11-4-2-5-12(11)10-13/h7-8,10,14,16H,2-6H2,1H3.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yl)-4-(methylamino)butanenitrile?
4-(2,3-dihydro-1H-inden-5-yl)-4-(methylamino)butanenitrile has a molecular weight of 214.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yl)-4-(methylamino)butanenitrile is sourced from PubChem (CID 116955267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).