7-amino-1-(oxan-4-yl)decan-5-one

C15H29NO2 — CID 114193631

IUPAC7-amino-1-(oxan-4-yl)decan-5-one
SMILESCCCC(N)CC(=O)CCCCC1CCOCC1
InChIInChI=1S/C15H29NO2/c1-2-5-14(16)12-15(17)7-4-3-6-13-8-10-18-11-9-13/h13-14H,2-12,16H2,1H3
InChIKeyIRDBHGPRDHISKG-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.06
Rot. Bonds9

About 7-amino-1-(oxan-4-yl)decan-5-one

7-amino-1-(oxan-4-yl)decan-5-one (PubChem CID 114193631) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 7-amino-1-(oxan-4-yl)decan-5-one.

Molecular Properties

Compound Name7-amino-1-(oxan-4-yl)decan-5-one
PubChem CID114193631
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name7-amino-1-(oxan-4-yl)decan-5-one
SMILESCCCC(N)CC(=O)CCCCC1CCOCC1
InChIInChI=1S/C15H29NO2/c1-2-5-14(16)12-15(17)7-4-3-6-13-8-10-18-11-9-13/h13-14H,2-12,16H2,1H3
InChIKeyIRDBHGPRDHISKG-UHFFFAOYSA-N
XLogP3.06
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(oxan-4-yl)dodecan-5-one
CID 114192976
4-aminotridecan-6-one
CID 116607784
1,1,1-trifluoro-8-(oxan-4-yl)octan-4-one
CID 114191929
1-(oxan-4-yl)hexan-3-one
CID 62385519
4-aminotridec-12-en-6-one
CID 107010989
1-(oxan-4-yl)undecan-5-ol
CID 114191725
1-cyclopropyltritriacontan-16-one
CID 175774225
1-(oxan-4-yl)pentan-3-amine
CID 62386440
1,1,2,2-tetrafluoro-7-(oxan-4-yl)heptan-3-one
CID 114193017
4-(oxan-4-yl)butyl propanoate
CID 142409107
5-aminooctan-3-one
CID 116607745
4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]pentanamide
CID 115156830

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(oxan-4-yl)decan-5-one?
The IUPAC name of 7-amino-1-(oxan-4-yl)decan-5-one (CID 114193631) is 7-amino-1-(oxan-4-yl)decan-5-one.
What is the SMILES notation for 7-amino-1-(oxan-4-yl)decan-5-one?
The canonical SMILES for 7-amino-1-(oxan-4-yl)decan-5-one is CCCC(N)CC(=O)CCCCC1CCOCC1.
What is the InChIKey of 7-amino-1-(oxan-4-yl)decan-5-one?
The InChIKey is IRDBHGPRDHISKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-5-14(16)12-15(17)7-4-3-6-13-8-10-18-11-9-13/h13-14H,2-12,16H2,1H3.
What are the key properties of 7-amino-1-(oxan-4-yl)decan-5-one?
7-amino-1-(oxan-4-yl)decan-5-one has a molecular weight of 255.40 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(oxan-4-yl)decan-5-one is sourced from PubChem (CID 114193631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).