4-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one

C11H20N2O — CID 106314057

IUPAC4-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
SMILESCC1=CCCN(C(=O)CCC(C)N)C1
InChIInChI=1S/C11H20N2O/c1-9-4-3-7-13(8-9)11(14)6-5-10(2)12/h4,10H,3,5-8,12H2,1-2H3
InChIKeyVRMTZXUSTPZZCF-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.29
Rot. Bonds3

About 4-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one

4-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one (PubChem CID 106314057) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one.

Molecular Properties

Compound Name4-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
PubChem CID106314057
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
SMILESCC1=CCCN(C(=O)CCC(C)N)C1
InChIInChI=1S/C11H20N2O/c1-9-4-3-7-13(8-9)11(14)6-5-10(2)12/h4,10H,3,5-8,12H2,1-2H3
InChIKeyVRMTZXUSTPZZCF-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
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

6-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 106313917
1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 106316937
ethyl 5-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 106316934
4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
CID 106315085
2-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 106313945
2-chloro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 106313518
5-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 114409070
4-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]pentanoic acid
CID 106315845
4-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
CID 79181825
4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564498
4-amino-1-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-one
CID 120562485
4-amino-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-one;hydrochloride
CID 120559364

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one?
The IUPAC name of 4-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one (CID 106314057) is 4-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one.
What is the SMILES notation for 4-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one?
The canonical SMILES for 4-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one is CC1=CCCN(C(=O)CCC(C)N)C1.
What is the InChIKey of 4-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one?
The InChIKey is VRMTZXUSTPZZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9-4-3-7-13(8-9)11(14)6-5-10(2)12/h4,10H,3,5-8,12H2,1-2H3.
What are the key properties of 4-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one?
4-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one has a molecular weight of 196.29 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one is sourced from PubChem (CID 106314057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).