7-amino-1-(furan-2-yl)-5,5-dimethylheptan-2-one

C13H21NO2 — CID 116574856

IUPAC7-amino-1-(furan-2-yl)-5,5-dimethylheptan-2-one
SMILESCC(C)(CCN)CCC(=O)Cc1ccco1
InChIInChI=1S/C13H21NO2/c1-13(2,7-8-14)6-5-11(15)10-12-4-3-9-16-12/h3-4,9H,5-8,10,14H2,1-2H3
InChIKeyLSCVNNMBDBUFBS-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.55
Rot. Bonds7

About 7-amino-1-(furan-2-yl)-5,5-dimethylheptan-2-one

7-amino-1-(furan-2-yl)-5,5-dimethylheptan-2-one (PubChem CID 116574856) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 7-amino-1-(furan-2-yl)-5,5-dimethylheptan-2-one.

Molecular Properties

Compound Name7-amino-1-(furan-2-yl)-5,5-dimethylheptan-2-one
PubChem CID116574856
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name7-amino-1-(furan-2-yl)-5,5-dimethylheptan-2-one
SMILESCC(C)(CCN)CCC(=O)Cc1ccco1
InChIInChI=1S/C13H21NO2/c1-13(2,7-8-14)6-5-11(15)10-12-4-3-9-16-12/h3-4,9H,5-8,10,14H2,1-2H3
InChIKeyLSCVNNMBDBUFBS-UHFFFAOYSA-N
XLogP2.55
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-5,5-dimethyl-1-phenylheptan-2-one
CID 116574700
1-(furan-2-yl)-5-methylhexan-2-one
CID 83172823
1-(furan-2-yl)hexan-2-one
CID 3115857
6-amino-N-[1-(furan-2-yl)ethyl]-4,4-dimethylhexanamide
CID 65293020
4-amino-1-(furan-2-yl)-5,5-dimethylhexan-2-one
CID 116608493
7-amino-1-(4-fluorophenyl)-5,5-dimethylheptan-2-one
CID 116574767
3-amino-1-(furan-2-yl)-3-methylbutan-2-one
CID 82413823
1-(furan-2-yl)-3-(methylamino)propan-2-one
CID 83635399
1-(furan-2-yl)-6-methylheptan-2-one
CID 123946123
5-(furan-2-yl)-2,4-dioxopentanoic acid
CID 44591401
N-(4-amino-2,2-dimethylbutyl)furan-2-carboxamide
CID 106139844
1-(4-tert-butylphenyl)-4-(furan-2-yl)butan-2-one
CID 105089444

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(furan-2-yl)-5,5-dimethylheptan-2-one?
The IUPAC name of 7-amino-1-(furan-2-yl)-5,5-dimethylheptan-2-one (CID 116574856) is 7-amino-1-(furan-2-yl)-5,5-dimethylheptan-2-one.
What is the SMILES notation for 7-amino-1-(furan-2-yl)-5,5-dimethylheptan-2-one?
The canonical SMILES for 7-amino-1-(furan-2-yl)-5,5-dimethylheptan-2-one is CC(C)(CCN)CCC(=O)Cc1ccco1.
What is the InChIKey of 7-amino-1-(furan-2-yl)-5,5-dimethylheptan-2-one?
The InChIKey is LSCVNNMBDBUFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13(2,7-8-14)6-5-11(15)10-12-4-3-9-16-12/h3-4,9H,5-8,10,14H2,1-2H3.
What are the key properties of 7-amino-1-(furan-2-yl)-5,5-dimethylheptan-2-one?
7-amino-1-(furan-2-yl)-5,5-dimethylheptan-2-one has a molecular weight of 223.32 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(furan-2-yl)-5,5-dimethylheptan-2-one is sourced from PubChem (CID 116574856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).