(2R)-2-amino-1-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one

C13H25N3O — CID 120873000

IUPAC(2R)-2-amino-1-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
SMILESCC(C)N1C2CCC1CN(C(=O)[C@@H](C)N)CC2
InChIInChI=1S/C13H25N3O/c1-9(2)16-11-4-5-12(16)8-15(7-6-11)13(17)10(3)14/h9-12H,4-8,14H2,1-3H3/t10-,11?,12?/m1/s1
InChIKeyNKUZSVLYKJCLPC-VOMCLLRMSA-N
MW239.36 g/mol
LogP0.81
Rot. Bonds2

About (2R)-2-amino-1-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one

(2R)-2-amino-1-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one (PubChem CID 120873000) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (2R)-2-amino-1-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
PubChem CID120873000
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(2R)-2-amino-1-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
SMILESCC(C)N1C2CCC1CN(C(=O)[C@@H](C)N)CC2
InChIInChI=1S/C13H25N3O/c1-9(2)16-11-4-5-12(16)8-15(7-6-11)13(17)10(3)14/h9-12H,4-8,14H2,1-3H3/t10-,11?,12?/m1/s1
InChIKeyNKUZSVLYKJCLPC-VOMCLLRMSA-N
XLogP0.81
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-1-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one with MolForge

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Related Compounds

(2R)-2-amino-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79170601
(2S)-2-amino-4-methylsulfanyl-1-[(1S,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]butan-1-one
CID 124687908
(2R)-2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 78925476
(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 86323735
1-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone
CID 70209663
2-amino-1-(6-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one
CID 176568034
2-amino-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115734771
2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 61041479
(2R)-2-amino-1-(3,5-dimethylazepan-1-yl)propan-1-one
CID 130747616
2-amino-1-[3-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 131134494
(2S)-2-amino-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-1-one
CID 63151458
2-amino-1-(3-fluoro-4-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 130635409

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one?
The IUPAC name of (2R)-2-amino-1-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one (CID 120873000) is (2R)-2-amino-1-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one?
The canonical SMILES for (2R)-2-amino-1-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one is CC(C)N1C2CCC1CN(C(=O)[C@@H](C)N)CC2.
What is the InChIKey of (2R)-2-amino-1-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one?
The InChIKey is NKUZSVLYKJCLPC-VOMCLLRMSA-N. The full InChI is InChI=1S/C13H25N3O/c1-9(2)16-11-4-5-12(16)8-15(7-6-11)13(17)10(3)14/h9-12H,4-8,14H2,1-3H3/t10-,11?,12?/m1/s1.
What are the key properties of (2R)-2-amino-1-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one?
(2R)-2-amino-1-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one has a molecular weight of 239.36 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one is sourced from PubChem (CID 120873000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).