3-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpentan-1-one

C11H20N2O — CID 114408795

IUPAC3-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpentan-1-one
SMILESCC(C)C(N)CC(=O)N1CC=CCC1
InChIInChI=1S/C11H20N2O/c1-9(2)10(12)8-11(14)13-6-4-3-5-7-13/h3-4,9-10H,5-8,12H2,1-2H3
InChIKeyBLXMEIFKQGIPTR-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.15
Rot. Bonds3

About 3-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpentan-1-one

3-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpentan-1-one (PubChem CID 114408795) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name3-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpentan-1-one
PubChem CID114408795
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpentan-1-one
SMILESCC(C)C(N)CC(=O)N1CC=CCC1
InChIInChI=1S/C11H20N2O/c1-9(2)10(12)8-11(14)13-6-4-3-5-7-13/h3-4,9-10H,5-8,12H2,1-2H3
InChIKeyBLXMEIFKQGIPTR-UHFFFAOYSA-N
XLogP1.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.15
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-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one
CID 104921204
3-(aminomethyl)-1-(3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
CID 114409154
5-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 114409070
6-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one
CID 114408800
4-amino-1-(3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 114409026
[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]urea
CID 130608897
2-bromo-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 114408452
(2R)-2-chloro-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 93494142
1-(3,6-dihydro-2H-pyridin-1-yl)-2-(dimethylamino)ethanone
CID 91175888
3-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-methylpentan-1-one
CID 107220182
2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 115977074
2-[3,6-dihydro-2H-pyridine-1-carbonyl(propan-2-yl)amino]acetic acid
CID 114411684

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpentan-1-one?
The IUPAC name of 3-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpentan-1-one (CID 114408795) is 3-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpentan-1-one.
What is the SMILES notation for 3-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpentan-1-one?
The canonical SMILES for 3-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpentan-1-one is CC(C)C(N)CC(=O)N1CC=CCC1.
What is the InChIKey of 3-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpentan-1-one?
The InChIKey is BLXMEIFKQGIPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(2)10(12)8-11(14)13-6-4-3-5-7-13/h3-4,9-10H,5-8,12H2,1-2H3.
What are the key properties of 3-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpentan-1-one?
3-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpentan-1-one has a molecular weight of 196.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpentan-1-one is sourced from PubChem (CID 114408795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).