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

C11H19NO2 — CID 102648365

IUPAC2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
SMILESCCCC(CN)C(=O)C1=CCCCO1
InChIInChI=1S/C11H19NO2/c1-2-5-9(8-12)11(13)10-6-3-4-7-14-10/h6,9H,2-5,7-8,12H2,1H3
InChIKeyPKQNPZZTWPWEQK-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.62
Rot. Bonds5

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

2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one (PubChem CID 102648365) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
PubChem CID102648365
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
SMILESCCCC(CN)C(=O)C1=CCCCO1
InChIInChI=1S/C11H19NO2/c1-2-5-9(8-12)11(13)10-6-3-4-7-14-10/h6,9H,2-5,7-8,12H2,1H3
InChIKeyPKQNPZZTWPWEQK-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

4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one
CID 102648435
1-(3,4-dihydro-2H-pyran-6-yl)-3-ethyl-2-hydroxypentan-1-one
CID 103458414
4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-one
CID 102648441
4-amino-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
CID 102648355
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3,3-dimethylbutan-1-one
CID 102647045
1-(3,4-dihydro-2H-pyran-6-yl)-2-(propan-2-ylamino)ethanone
CID 102648293
2-(aminomethyl)-1-(3,5-difluorophenyl)pentan-1-one
CID 116574642
(2E)-2-benzylidene-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
CID 135079434
ethyl (2R)-2-[3,4-dihydro-2H-pyran-6-yl(dimethyl)silyl]propanoate
CID 134969002
3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanone
CID 102647051
3-(4-aminophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
CID 102648498
3,4-dihydro-2H-pyran-6-yl-(2-ethoxyphenyl)methanone
CID 102647006

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one (CID 102648365) is 2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one is CCCC(CN)C(=O)C1=CCCCO1.
What is the InChIKey of 2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one?
The InChIKey is PKQNPZZTWPWEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-5-9(8-12)11(13)10-6-3-4-7-14-10/h6,9H,2-5,7-8,12H2,1H3.
What are the key properties of 2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one?
2-(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 2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one is sourced from PubChem (CID 102648365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).