3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile

C13H16N2 — CID 116851211

IUPAC3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile
SMILESN#CCC(N)c1ccc2c(c1)CCCC2
InChIInChI=1S/C13H16N2/c14-8-7-13(15)12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9,13H,1-4,7,15H2
InChIKeyBNZHGPXMARUGEA-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.48
Rot. Bonds2

About 3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile

3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile (PubChem CID 116851211) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile.

Molecular Properties

Compound Name3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile
PubChem CID116851211
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile
SMILESN#CCC(N)c1ccc2c(c1)CCCC2
InChIInChI=1S/C13H16N2/c14-8-7-13(15)12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9,13H,1-4,7,15H2
InChIKeyBNZHGPXMARUGEA-UHFFFAOYSA-N
XLogP2.48
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile
CID 116851252
1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 116932733
1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 43198216
1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-amine
CID 114190611
4-amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol
CID 116861384
2-methoxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 82283128
3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 116850923
3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanenitrile
CID 116851226
2-(4-bromophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43109357
2-(4-methylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43152415
(3S)-3-amino-3-(3,4-difluorophenyl)propanenitrile
CID 130722844
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile?
The IUPAC name of 3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile (CID 116851211) is 3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile.
What is the SMILES notation for 3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile?
The canonical SMILES for 3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile is N#CCC(N)c1ccc2c(c1)CCCC2.
What is the InChIKey of 3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile?
The InChIKey is BNZHGPXMARUGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c14-8-7-13(15)12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9,13H,1-4,7,15H2.
What are the key properties of 3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile?
3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile has a molecular weight of 200.28 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile is sourced from PubChem (CID 116851211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).