2-[2,3-dihydro-1H-inden-5-yl(methylamino)methyl]butanenitrile

C15H20N2 — CID 116960523

IUPAC2-[2,3-dihydro-1H-inden-5-yl(methylamino)methyl]butanenitrile
SMILESCCC(C#N)C(NC)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H20N2/c1-3-11(10-16)15(17-2)14-8-7-12-5-4-6-13(12)9-14/h7-9,11,15,17H,3-6H2,1-2H3
InChIKeyHZYWPTXQNKNQJN-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.99
Rot. Bonds4

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

2-[2,3-dihydro-1H-inden-5-yl(methylamino)methyl]butanenitrile (PubChem CID 116960523) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[2,3-dihydro-1H-inden-5-yl(methylamino)methyl]butanenitrile.

Molecular Properties

Compound Name2-[2,3-dihydro-1H-inden-5-yl(methylamino)methyl]butanenitrile
PubChem CID116960523
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-[2,3-dihydro-1H-inden-5-yl(methylamino)methyl]butanenitrile
SMILESCCC(C#N)C(NC)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H20N2/c1-3-11(10-16)15(17-2)14-8-7-12-5-4-6-13(12)9-14/h7-9,11,15,17H,3-6H2,1-2H3
InChIKeyHZYWPTXQNKNQJN-UHFFFAOYSA-N
XLogP2.99
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-dimethoxyphenyl)-(methylamino)methyl]butanenitrile
CID 116960515
2-[(4-fluoro-3-methylphenyl)-(methylamino)methyl]butanenitrile
CID 116960512
1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylpentan-1-amine
CID 43485099
2-(2,3-dihydro-1H-inden-5-yl)pentanenitrile
CID 82076345
4-(2,3-dihydro-1H-inden-5-yl)-4-(methylamino)butanenitrile
CID 116955267
N-methyl-2-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-amine
CID 82985313
2-[(4-methoxy-3-propan-2-ylphenyl)-(methylamino)methyl]butanenitrile
CID 116960530
1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 116961881
1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylbutane-1,4-diamine
CID 116949561
1-(2,3-dihydro-1H-inden-5-yl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116960337
1-(methylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
CID 116859383
N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
CID 116954289

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1H-inden-5-yl(methylamino)methyl]butanenitrile?
The IUPAC name of 2-[2,3-dihydro-1H-inden-5-yl(methylamino)methyl]butanenitrile (CID 116960523) is 2-[2,3-dihydro-1H-inden-5-yl(methylamino)methyl]butanenitrile.
What is the SMILES notation for 2-[2,3-dihydro-1H-inden-5-yl(methylamino)methyl]butanenitrile?
The canonical SMILES for 2-[2,3-dihydro-1H-inden-5-yl(methylamino)methyl]butanenitrile is CCC(C#N)C(NC)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-[2,3-dihydro-1H-inden-5-yl(methylamino)methyl]butanenitrile?
The InChIKey is HZYWPTXQNKNQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-3-11(10-16)15(17-2)14-8-7-12-5-4-6-13(12)9-14/h7-9,11,15,17H,3-6H2,1-2H3.
What are the key properties of 2-[2,3-dihydro-1H-inden-5-yl(methylamino)methyl]butanenitrile?
2-[2,3-dihydro-1H-inden-5-yl(methylamino)methyl]butanenitrile has a molecular weight of 228.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1H-inden-5-yl(methylamino)methyl]butanenitrile is sourced from PubChem (CID 116960523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).