3-(aminomethyl)-1-(3,6-dihydro-2H-pyridin-1-yl)pentan-1-one

C11H20N2O — CID 114409154

IUPAC3-(aminomethyl)-1-(3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
SMILESCCC(CN)CC(=O)N1CC=CCC1
InChIInChI=1S/C11H20N2O/c1-2-10(9-12)8-11(14)13-6-4-3-5-7-13/h3-4,10H,2,5-9,12H2,1H3
InChIKeyICDYGXGVGQHJME-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.15
Rot. Bonds4

About 3-(aminomethyl)-1-(3,6-dihydro-2H-pyridin-1-yl)pentan-1-one

3-(aminomethyl)-1-(3,6-dihydro-2H-pyridin-1-yl)pentan-1-one (PubChem CID 114409154) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(3,6-dihydro-2H-pyridin-1-yl)pentan-1-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
PubChem CID114409154
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-(aminomethyl)-1-(3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
SMILESCCC(CN)CC(=O)N1CC=CCC1
InChIInChI=1S/C11H20N2O/c1-2-10(9-12)8-11(14)13-6-4-3-5-7-13/h3-4,10H,2,5-9,12H2,1H3
InChIKeyICDYGXGVGQHJME-UHFFFAOYSA-N
XLogP1.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one
CID 81070854
3-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpentan-1-one
CID 114408795
3-(aminomethyl)-1-(4-tert-butylpiperazin-1-yl)pentan-1-one
CID 81087242
3-(aminomethyl)-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one
CID 81087569
3-(aminomethyl)-1-(3-hydroxypiperidin-1-yl)pentan-1-one
CID 81071735
3-(aminomethyl)-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
CID 81075469
3-(aminomethyl)-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one
CID 81071625
3-(aminomethyl)-1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 81071725
3-(aminomethyl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one
CID 81087100
6-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one
CID 114408800
1-[3-(aminomethyl)pentanoyl]-4-ethylpiperidine-4-carboxylic acid
CID 81079245
4-amino-1-(3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 114409026

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(3,6-dihydro-2H-pyridin-1-yl)pentan-1-one?
The IUPAC name of 3-(aminomethyl)-1-(3,6-dihydro-2H-pyridin-1-yl)pentan-1-one (CID 114409154) is 3-(aminomethyl)-1-(3,6-dihydro-2H-pyridin-1-yl)pentan-1-one.
What is the SMILES notation for 3-(aminomethyl)-1-(3,6-dihydro-2H-pyridin-1-yl)pentan-1-one?
The canonical SMILES for 3-(aminomethyl)-1-(3,6-dihydro-2H-pyridin-1-yl)pentan-1-one is CCC(CN)CC(=O)N1CC=CCC1.
What is the InChIKey of 3-(aminomethyl)-1-(3,6-dihydro-2H-pyridin-1-yl)pentan-1-one?
The InChIKey is ICDYGXGVGQHJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-10(9-12)8-11(14)13-6-4-3-5-7-13/h3-4,10H,2,5-9,12H2,1H3.
What are the key properties of 3-(aminomethyl)-1-(3,6-dihydro-2H-pyridin-1-yl)pentan-1-one?
3-(aminomethyl)-1-(3,6-dihydro-2H-pyridin-1-yl)pentan-1-one has a molecular weight of 196.29 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(3,6-dihydro-2H-pyridin-1-yl)pentan-1-one is sourced from PubChem (CID 114409154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).