3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanenitrile

C16H18N2 — CID 116940475

IUPAC3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanenitrile
SMILESCc1ccc2cc(C(N)C(C)(C)C#N)ccc2c1
InChIInChI=1S/C16H18N2/c1-11-4-5-13-9-14(7-6-12(13)8-11)15(18)16(2,3)10-17/h4-9,15H,18H2,1-3H3
InChIKeyFFJIYOMWTZXVKE-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.70
Rot. Bonds2

About 3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanenitrile

3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanenitrile (PubChem CID 116940475) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanenitrile.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanenitrile
PubChem CID116940475
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanenitrile
SMILESCc1ccc2cc(C(N)C(C)(C)C#N)ccc2c1
InChIInChI=1S/C16H18N2/c1-11-4-5-13-9-14(7-6-12(13)8-11)15(18)16(2,3)10-17/h4-9,15H,18H2,1-3H3
InChIKeyFFJIYOMWTZXVKE-UHFFFAOYSA-N
XLogP3.70
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-dimethyl-1-(6-methylnaphthalen-2-yl)propane-1,2-diamine
CID 116938972
3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanoic acid
CID 116937993
3-amino-3-(3-tert-butyl-4-methoxyphenyl)-2,2-dimethylpropanenitrile
CID 116940362
3-amino-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanenitrile
CID 116940358
3-amino-2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)propanenitrile
CID 116940438
1-(6-methylnaphthalen-2-yl)ethanethiol
CID 116866764
2-butan-2-yl-9-methylpentacene
CID 20764702
3-[amino-(6-methylnaphthalen-2-yl)methyl]cyclobutan-1-amine
CID 116937429
(2R)-2-amino-1,1-bis(3-methylphenyl)-2-naphthalen-2-ylethanol
CID 66808040
2-[amino-(6-methylnaphthalen-2-yl)methyl]-3-methylbutan-1-ol
CID 116945692
2,9-dimethylpentacene
CID 11460950
2-methoxy-2-methyl-1-naphthalen-2-ylpropan-1-amine
CID 79197880

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanenitrile?
The IUPAC name of 3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanenitrile (CID 116940475) is 3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanenitrile.
What is the SMILES notation for 3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanenitrile?
The canonical SMILES for 3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanenitrile is Cc1ccc2cc(C(N)C(C)(C)C#N)ccc2c1.
What is the InChIKey of 3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanenitrile?
The InChIKey is FFJIYOMWTZXVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-11-4-5-13-9-14(7-6-12(13)8-11)15(18)16(2,3)10-17/h4-9,15H,18H2,1-3H3.
What are the key properties of 3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanenitrile?
3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanenitrile has a molecular weight of 238.33 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanenitrile is sourced from PubChem (CID 116940475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).