3-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one

C11H19NO2 — CID 102648440

IUPAC3-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
SMILESCCC(CN)CC(=O)C1=CCCCO1
InChIInChI=1S/C11H19NO2/c1-2-9(8-12)7-10(13)11-5-3-4-6-14-11/h5,9H,2-4,6-8,12H2,1H3
InChIKeyNDIRZUCXQJEKCA-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.62
Rot. Bonds5

About 3-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one

3-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one (PubChem CID 102648440) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
PubChem CID102648440
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
SMILESCCC(CN)CC(=O)C1=CCCCO1
InChIInChI=1S/C11H19NO2/c1-2-9(8-12)7-10(13)11-5-3-4-6-14-11/h5,9H,2-4,6-8,12H2,1H3
InChIKeyNDIRZUCXQJEKCA-UHFFFAOYSA-N
XLogP1.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylpentan-1-one
CID 102648286
4-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
CID 102648288
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one
CID 102648289
4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one
CID 102648354
4-amino-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
CID 102648355
5-amino-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
CID 102648356
2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-one
CID 102648363
6-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylheptan-1-one
CID 102648364
2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
CID 102648365
6-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4,4-dimethylhexan-1-one
CID 102648366
2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
CID 102648367
3-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-5-methylhexan-1-one
CID 102648373

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one?
The IUPAC name of 3-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one (CID 102648440) is 3-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one.
What is the SMILES notation for 3-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one?
The canonical SMILES for 3-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one is CCC(CN)CC(=O)C1=CCCCO1.
What is the InChIKey of 3-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one?
The InChIKey is NDIRZUCXQJEKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-9(8-12)7-10(13)11-5-3-4-6-14-11/h5,9H,2-4,6-8,12H2,1H3.
What are the key properties of 3-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one?
3-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one is sourced from PubChem (CID 102648440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).