2-amino-1-(oxan-4-yl)pentan-1-one

C10H19NO2 — CID 116554596

IUPAC2-amino-1-(oxan-4-yl)pentan-1-one
SMILESCCCC(N)C(=O)C1CCOCC1
InChIInChI=1S/C10H19NO2/c1-2-3-9(11)10(12)8-4-6-13-7-5-8/h8-9H,2-7,11H2,1H3
InChIKeyBBEWTQKWWBLSJD-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.11
Rot. Bonds4

About 2-amino-1-(oxan-4-yl)pentan-1-one

2-amino-1-(oxan-4-yl)pentan-1-one (PubChem CID 116554596) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-amino-1-(oxan-4-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-1-(oxan-4-yl)pentan-1-one
PubChem CID116554596
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-amino-1-(oxan-4-yl)pentan-1-one
SMILESCCCC(N)C(=O)C1CCOCC1
InChIInChI=1S/C10H19NO2/c1-2-3-9(11)10(12)8-4-6-13-7-5-8/h8-9H,2-7,11H2,1H3
InChIKeyBBEWTQKWWBLSJD-UHFFFAOYSA-N
XLogP1.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2,6-diamino-1-(oxan-4-yl)hexan-1-one
CID 67417979
ethyl 2-(oxane-4-carbonyl)pentanoate
CID 83048896
2-amino-1-(1-methylpiperidin-4-yl)pentan-1-one
CID 155783343
2-amino-1-cyclopropylhexan-1-one
CID 116556854
ethyl 2-nitroso-3-(oxan-4-yl)-3-oxopropanoate
CID 91318150
(2S)-2-bromo-1-(oxan-4-yl)propan-1-one
CID 124710704
2-bromo-1-(oxan-4-yl)propan-1-one
CID 119056821
N-[(3S)-hexan-3-yl]oxane-4-carboxamide
CID 170970278
2-ethoxy-1-(oxan-4-yl)propan-1-one
CID 64539233
2-amino-N-methyl-N-(oxolan-3-ylmethyl)pentanamide;hydrochloride
CID 119341303
2-amino-3-methyl-1-(oxolan-3-yl)pentan-1-one
CID 116552686
oxetan-3-yl 2-aminopentanoate
CID 102606817

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(oxan-4-yl)pentan-1-one?
The IUPAC name of 2-amino-1-(oxan-4-yl)pentan-1-one (CID 116554596) is 2-amino-1-(oxan-4-yl)pentan-1-one.
What is the SMILES notation for 2-amino-1-(oxan-4-yl)pentan-1-one?
The canonical SMILES for 2-amino-1-(oxan-4-yl)pentan-1-one is CCCC(N)C(=O)C1CCOCC1.
What is the InChIKey of 2-amino-1-(oxan-4-yl)pentan-1-one?
The InChIKey is BBEWTQKWWBLSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-3-9(11)10(12)8-4-6-13-7-5-8/h8-9H,2-7,11H2,1H3.
What are the key properties of 2-amino-1-(oxan-4-yl)pentan-1-one?
2-amino-1-(oxan-4-yl)pentan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(oxan-4-yl)pentan-1-one is sourced from PubChem (CID 116554596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).