2,4-dimethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine

C14H28N2O — CID 115310351

IUPAC2,4-dimethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine
SMILESCC(C)CC(C)(CN)N1CC2(CCOCC2)C1
InChIInChI=1S/C14H28N2O/c1-12(2)8-13(3,9-15)16-10-14(11-16)4-6-17-7-5-14/h12H,4-11,15H2,1-3H3
InChIKeyPIDKEKOOBMARJS-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.86
Rot. Bonds4

About 2,4-dimethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine

2,4-dimethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine (PubChem CID 115310351) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2,4-dimethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine
PubChem CID115310351
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2,4-dimethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine
SMILESCC(C)CC(C)(CN)N1CC2(CCOCC2)C1
InChIInChI=1S/C14H28N2O/c1-12(2)8-13(3,9-15)16-10-14(11-16)4-6-17-7-5-14/h12H,4-11,15H2,1-3H3
InChIKeyPIDKEKOOBMARJS-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine?
The IUPAC name of 2,4-dimethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine (CID 115310351) is 2,4-dimethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine.
What is the SMILES notation for 2,4-dimethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine?
The canonical SMILES for 2,4-dimethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine is CC(C)CC(C)(CN)N1CC2(CCOCC2)C1.
What is the InChIKey of 2,4-dimethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine?
The InChIKey is PIDKEKOOBMARJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2)8-13(3,9-15)16-10-14(11-16)4-6-17-7-5-14/h12H,4-11,15H2,1-3H3.
What are the key properties of 2,4-dimethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine?
2,4-dimethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentan-1-amine is sourced from PubChem (CID 115310351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).