3-amino-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanenitrile

C14H18N2 — CID 116940358

IUPAC3-amino-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanenitrile
SMILESCC(C)(C#N)C(N)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H18N2/c1-14(2,9-15)13(16)12-7-6-10-4-3-5-11(10)8-12/h6-8,13H,3-5,16H2,1-2H3
InChIKeyCRYYBLXQKDCLFZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.72
Rot. Bonds2

About 3-amino-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanenitrile

3-amino-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanenitrile (PubChem CID 116940358) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-amino-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanenitrile.

Molecular Properties

Compound Name3-amino-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanenitrile
PubChem CID116940358
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-amino-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanenitrile
SMILESCC(C)(C#N)C(N)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H18N2/c1-14(2,9-15)13(16)12-7-6-10-4-3-5-11(10)8-12/h6-8,13H,3-5,16H2,1-2H3
InChIKeyCRYYBLXQKDCLFZ-UHFFFAOYSA-N
XLogP2.72
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 116937900
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135
2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 116934441
1-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 114194480
1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-amine
CID 114190611
3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile
CID 116851211
2,3-dihydro-1H-inden-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43115552
2-(2,3-dihydro-1H-inden-5-yl)pentanenitrile
CID 82076345
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpropanenitrile
CID 115129260
2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol
CID 82285998
5-(difluoromethyl)-2,3-dihydro-1H-indene;ethene
CID 164603454
4-amino-2,2-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 65298814

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanenitrile?
The IUPAC name of 3-amino-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanenitrile (CID 116940358) is 3-amino-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanenitrile.
What is the SMILES notation for 3-amino-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanenitrile?
The canonical SMILES for 3-amino-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanenitrile is CC(C)(C#N)C(N)c1ccc2c(c1)CCC2.
What is the InChIKey of 3-amino-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanenitrile?
The InChIKey is CRYYBLXQKDCLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-14(2,9-15)13(16)12-7-6-10-4-3-5-11(10)8-12/h6-8,13H,3-5,16H2,1-2H3.
What are the key properties of 3-amino-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanenitrile?
3-amino-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanenitrile has a molecular weight of 214.31 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanenitrile is sourced from PubChem (CID 116940358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).