(2R)-2-amino-1-(3,5-dimethylazepan-1-yl)propan-1-one

C11H22N2O — CID 130747616

IUPAC(2R)-2-amino-1-(3,5-dimethylazepan-1-yl)propan-1-one
SMILESCC1CCN(C(=O)[C@@H](C)N)CC(C)C1
InChIInChI=1S/C11H22N2O/c1-8-4-5-13(7-9(2)6-8)11(14)10(3)12/h8-10H,4-7,12H2,1-3H3/t8?,9?,10-/m1/s1
InChIKeyPNNVCBNETXHYNC-UDNWOFFPSA-N
MW198.31 g/mol
LogP1.23
Rot. Bonds1

About (2R)-2-amino-1-(3,5-dimethylazepan-1-yl)propan-1-one

(2R)-2-amino-1-(3,5-dimethylazepan-1-yl)propan-1-one (PubChem CID 130747616) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2R)-2-amino-1-(3,5-dimethylazepan-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(3,5-dimethylazepan-1-yl)propan-1-one
PubChem CID130747616
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2R)-2-amino-1-(3,5-dimethylazepan-1-yl)propan-1-one
SMILESCC1CCN(C(=O)[C@@H](C)N)CC(C)C1
InChIInChI=1S/C11H22N2O/c1-8-4-5-13(7-9(2)6-8)11(14)10(3)12/h8-10H,4-7,12H2,1-3H3/t8?,9?,10-/m1/s1
InChIKeyPNNVCBNETXHYNC-UDNWOFFPSA-N
XLogP1.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 18715079
2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride
CID 130694728
(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 86323735
1-[(2R)-2-aminopropanoyl]piperidine-3,4-dicarboxylic acid
CID 113353831
(2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one
CID 129380985
(2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 79013338
2-amino-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115734771
2-amino-1-[3-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 131134494
2-amino-1-(3-fluoro-4-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 130635409
(2R)-2-amino-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79170601
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-aminopropan-1-one
CID 43620385
2-amino-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one
CID 131181690

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(3,5-dimethylazepan-1-yl)propan-1-one?
The IUPAC name of (2R)-2-amino-1-(3,5-dimethylazepan-1-yl)propan-1-one (CID 130747616) is (2R)-2-amino-1-(3,5-dimethylazepan-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(3,5-dimethylazepan-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-amino-1-(3,5-dimethylazepan-1-yl)propan-1-one is CC1CCN(C(=O)[C@@H](C)N)CC(C)C1.
What is the InChIKey of (2R)-2-amino-1-(3,5-dimethylazepan-1-yl)propan-1-one?
The InChIKey is PNNVCBNETXHYNC-UDNWOFFPSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8-4-5-13(7-9(2)6-8)11(14)10(3)12/h8-10H,4-7,12H2,1-3H3/t8?,9?,10-/m1/s1.
What are the key properties of (2R)-2-amino-1-(3,5-dimethylazepan-1-yl)propan-1-one?
(2R)-2-amino-1-(3,5-dimethylazepan-1-yl)propan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(3,5-dimethylazepan-1-yl)propan-1-one is sourced from PubChem (CID 130747616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).