4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one

C10H17NO2 — CID 102648435

IUPAC4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one
SMILESCC(CCN)C(=O)C1=CCCCO1
InChIInChI=1S/C10H17NO2/c1-8(5-6-11)10(12)9-4-2-3-7-13-9/h4,8H,2-3,5-7,11H2,1H3
InChIKeyVKFXNFZIUQSMQB-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.23
Rot. Bonds4

About 4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one

4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one (PubChem CID 102648435) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one
PubChem CID102648435
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one
SMILESCC(CCN)C(=O)C1=CCCCO1
InChIInChI=1S/C10H17NO2/c1-8(5-6-11)10(12)9-4-2-3-7-13-9/h4,8H,2-3,5-7,11H2,1H3
InChIKeyVKFXNFZIUQSMQB-UHFFFAOYSA-N
XLogP1.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-(2,3-dihydrofuran-5-yl)-2-methylpentan-1-one
CID 102652629
2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
CID 102648365
4-amino-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
CID 102648355
4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-one
CID 102648441
1-(3,4-dihydro-2H-pyran-6-yl)-3-ethyl-2-hydroxypentan-1-one
CID 103458414
1-(3,4-dihydro-2H-pyran-6-yl)-2-(propan-2-ylamino)ethanone
CID 102648293
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3,3-dimethylbutan-1-one
CID 102647045
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one
CID 102648313
1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one
CID 102648616
2-(1-aminocyclobutyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648423
1-(3,4-dihydro-2H-pyran-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 102648692
3,4-dihydro-2H-pyran-6-yl-(1-methylcyclohexyl)methanone
CID 106829748

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one?
The IUPAC name of 4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one (CID 102648435) is 4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one.
What is the SMILES notation for 4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one?
The canonical SMILES for 4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one is CC(CCN)C(=O)C1=CCCCO1.
What is the InChIKey of 4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one?
The InChIKey is VKFXNFZIUQSMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(5-6-11)10(12)9-4-2-3-7-13-9/h4,8H,2-3,5-7,11H2,1H3.
What are the key properties of 4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one?
4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one has a molecular weight of 183.25 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one is sourced from PubChem (CID 102648435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).