9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-amine

C15H22N2O2 — CID 82666438

IUPAC9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-amine
SMILESNC1COC2(CCN(Cc3ccccc3)CC2)OC1
InChIInChI=1S/C15H22N2O2/c16-14-11-18-15(19-12-14)6-8-17(9-7-15)10-13-4-2-1-3-5-13/h1-5,14H,6-12,16H2
InChIKeyOJLBQBLVNHGOIV-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.35
Rot. Bonds2

About 9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-amine

9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-amine (PubChem CID 82666438) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-amine.

Molecular Properties

Compound Name9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-amine
PubChem CID82666438
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-amine
SMILESNC1COC2(CCN(Cc3ccccc3)CC2)OC1
InChIInChI=1S/C15H22N2O2/c16-14-11-18-15(19-12-14)6-8-17(9-7-15)10-13-4-2-1-3-5-13/h1-5,14H,6-12,16H2
InChIKeyOJLBQBLVNHGOIV-UHFFFAOYSA-N
XLogP1.35
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methanamine
CID 82667511
(5S,8R)-2-benzyl-2-azaspiro[4.4]nonan-8-amine
CID 98089072
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
CID 67386428
(1-benzyl-4-cyclopropylpiperidin-4-yl)methanamine
CID 21036983
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-benzyl-4-isocyano-4-phenylpiperidine
CID 20812471
3-benzyl-6,6-dimethyl-1,3-oxazinane
CID 129106291
1-benzylpiperidin-4-amine;piperazine
CID 68641719
7-benzyl-2,7-diazaspiro[3.5]nonane;ethane
CID 145233671
1-benzyl-4-(4-bromophenyl)piperidin-4-amine
CID 72698436

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-amine?
The IUPAC name of 9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-amine (CID 82666438) is 9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-amine.
What is the SMILES notation for 9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-amine?
The canonical SMILES for 9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-amine is NC1COC2(CCN(Cc3ccccc3)CC2)OC1.
What is the InChIKey of 9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-amine?
The InChIKey is OJLBQBLVNHGOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-14-11-18-15(19-12-14)6-8-17(9-7-15)10-13-4-2-1-3-5-13/h1-5,14H,6-12,16H2.
What are the key properties of 9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-amine?
9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-amine has a molecular weight of 262.35 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-amine is sourced from PubChem (CID 82666438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).