(2R)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one

C10H18N2O — CID 104921204

IUPAC(2R)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one
SMILESCC(C)[C@@H](N)C(=O)N1CC=CCC1
InChIInChI=1S/C10H18N2O/c1-8(2)9(11)10(13)12-6-4-3-5-7-12/h3-4,8-9H,5-7,11H2,1-2H3/t9-/m1/s1
InChIKeyVTCDHHFAENBMOK-SECBINFHSA-N
MW182.27 g/mol
LogP0.76
Rot. Bonds2

About (2R)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one

(2R)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one (PubChem CID 104921204) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (2R)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one
PubChem CID104921204
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(2R)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one
SMILESCC(C)[C@@H](N)C(=O)N1CC=CCC1
InChIInChI=1S/C10H18N2O/c1-8(2)9(11)10(13)12-6-4-3-5-7-12/h3-4,8-9H,5-7,11H2,1-2H3/t9-/m1/s1
InChIKeyVTCDHHFAENBMOK-SECBINFHSA-N
XLogP0.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-chloro-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 93494142
3-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpentan-1-one
CID 114408795
2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 115977074
5-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 114409070
2-amino-3-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 114409422
(2R)-1-(3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-3-methylsulfanylpropan-1-one
CID 141045369
2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanone
CID 115977081
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 79180939
4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-carboxylic acid
CID 141387551
(2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 79013338
(2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one
CID 104928967
(2S)-2-amino-1-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-3-methylbutan-1-one
CID 99852473

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one?
The IUPAC name of (2R)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one (CID 104921204) is (2R)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for (2R)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one is CC(C)[C@@H](N)C(=O)N1CC=CCC1.
What is the InChIKey of (2R)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one?
The InChIKey is VTCDHHFAENBMOK-SECBINFHSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(2)9(11)10(13)12-6-4-3-5-7-12/h3-4,8-9H,5-7,11H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one?
(2R)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one has a molecular weight of 182.27 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 104921204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).