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

C13H18N2O — CID 116850923

IUPAC3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
SMILESNC(=O)CC(N)c1ccc2c(c1)CCCC2
InChIInChI=1S/C13H18N2O/c14-12(8-13(15)16)11-6-5-9-3-1-2-4-10(9)7-11/h5-7,12H,1-4,8,14H2,(H2,15,16)
InChIKeyQRANJWZOWGHPIG-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.44
Rot. Bonds3

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

3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide (PubChem CID 116850923) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide.

Molecular Properties

Compound Name3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
PubChem CID116850923
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
SMILESNC(=O)CC(N)c1ccc2c(c1)CCCC2
InChIInChI=1S/C13H18N2O/c14-12(8-13(15)16)11-6-5-9-3-1-2-4-10(9)7-11/h5-7,12H,1-4,8,14H2,(H2,15,16)
InChIKeyQRANJWZOWGHPIG-UHFFFAOYSA-N
XLogP1.44
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1H-inden-5-yl)butanamide
CID 82076746
4-amino-2,2-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 65298814
(5S)-5-amino-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoic acid
CID 28931166
1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 116932733
4-amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol
CID 116861384
1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 43198216
3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 82366719
2-methoxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 82283128
3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile
CID 116851211
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 25653
3-amino-2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 116937900
ethyl 4-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate
CID 54927474

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide?
The IUPAC name of 3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide (CID 116850923) is 3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide.
What is the SMILES notation for 3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide?
The canonical SMILES for 3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide is NC(=O)CC(N)c1ccc2c(c1)CCCC2.
What is the InChIKey of 3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide?
The InChIKey is QRANJWZOWGHPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-12(8-13(15)16)11-6-5-9-3-1-2-4-10(9)7-11/h5-7,12H,1-4,8,14H2,(H2,15,16).
What are the key properties of 3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide?
3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide has a molecular weight of 218.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 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)propanamide is sourced from PubChem (CID 116850923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).