2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propanamide

C13H24N2O — CID 43227053

IUPAC2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propanamide
SMILESCC(NC1CCC2CCCCC2C1)C(N)=O
InChIInChI=1S/C13H24N2O/c1-9(13(14)16)15-12-7-6-10-4-2-3-5-11(10)8-12/h9-12,15H,2-8H2,1H3,(H2,14,16)
InChIKeyJFEDXGGIYVKFOM-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.81
Rot. Bonds3

About 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propanamide

2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propanamide (PubChem CID 43227053) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propanamide.

Molecular Properties

Compound Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propanamide
PubChem CID43227053
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propanamide
SMILESCC(NC1CCC2CCCCC2C1)C(N)=O
InChIInChI=1S/C13H24N2O/c1-9(13(14)16)15-12-7-6-10-4-2-3-5-11(10)8-12/h9-12,15H,2-8H2,1H3,(H2,14,16)
InChIKeyJFEDXGGIYVKFOM-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-cyclopropylcyclohexyl)amino]propanamide
CID 64595045
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propanoic acid
CID 61499724
(2S)-2-(cyclopropylamino)propanamide
CID 28835909
(2S)-2-(cycloheptylamino)propanamide
CID 93300220
2-[(3-cyclopropylcyclohexyl)amino]propanoic acid
CID 64624206
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-methylbutan-1-ol
CID 79254765
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]propanamide
CID 43545311
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propane-1,3-diol
CID 65315355
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-4-methylpentan-1-ol
CID 61247146
N-[(3aR,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]acetamide
CID 131102398
methyl 2-[(3-cyclopropylcyclohexyl)amino]-3-methylpentanoate
CID 64593904
N-[(1S)-1-cyclohexylethyl]-3-cyclopropylcyclohexan-1-amine
CID 81387835

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propanamide?
The IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propanamide (CID 43227053) is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propanamide.
What is the SMILES notation for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propanamide?
The canonical SMILES for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propanamide is CC(NC1CCC2CCCCC2C1)C(N)=O.
What is the InChIKey of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propanamide?
The InChIKey is JFEDXGGIYVKFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-9(13(14)16)15-12-7-6-10-4-2-3-5-11(10)8-12/h9-12,15H,2-8H2,1H3,(H2,14,16).
What are the key properties of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propanamide?
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propanamide has a molecular weight of 224.35 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propanamide is sourced from PubChem (CID 43227053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).