(9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methanamine

C16H24N2O2 — CID 82667511

IUPAC(9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methanamine
SMILESNCC1COC2(CCN(Cc3ccccc3)CC2)OC1
InChIInChI=1S/C16H24N2O2/c17-10-15-12-19-16(20-13-15)6-8-18(9-7-16)11-14-4-2-1-3-5-14/h1-5,15H,6-13,17H2
InChIKeyVONYJSXGLLRZJS-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.60
Rot. Bonds3

About (9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methanamine

(9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methanamine (PubChem CID 82667511) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methanamine.

Molecular Properties

Compound Name(9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methanamine
PubChem CID82667511
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methanamine
SMILESNCC1COC2(CCN(Cc3ccccc3)CC2)OC1
InChIInChI=1S/C16H24N2O2/c17-10-15-12-19-16(20-13-15)6-8-18(9-7-16)11-14-4-2-1-3-5-14/h1-5,15H,6-13,17H2
InChIKeyVONYJSXGLLRZJS-UHFFFAOYSA-N
XLogP1.60
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.60
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-amine
CID 82666438
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
(1-benzyl-4-cyclopropylpiperidin-4-yl)methanamine
CID 21036983
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
(1-benzyl-4-phenylpiperidin-4-yl)methanamine;hydrochloride
CID 170875383
(1-benzylazepan-3-yl)methanamine
CID 15718476
(5S,8R)-2-benzyl-2-azaspiro[4.4]nonan-8-amine
CID 98089072
[1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 24703138
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
3-benzyl-9-(2-fluoroethyl)-3,9-diazaspiro[5.5]undecane
CID 138056197
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
1-benzyl-4-isocyano-4-phenylpiperidine
CID 20812471

Frequently Asked Questions

What is the IUPAC name of (9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methanamine?
The IUPAC name of (9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methanamine (CID 82667511) is (9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methanamine.
What is the SMILES notation for (9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methanamine?
The canonical SMILES for (9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methanamine is NCC1COC2(CCN(Cc3ccccc3)CC2)OC1.
What is the InChIKey of (9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methanamine?
The InChIKey is VONYJSXGLLRZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-10-15-12-19-16(20-13-15)6-8-18(9-7-16)11-14-4-2-1-3-5-14/h1-5,15H,6-13,17H2.
What are the key properties of (9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methanamine?
(9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methanamine has a molecular weight of 276.38 g/mol, XLogP of 1.60, 3 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-yl)methanamine is sourced from PubChem (CID 82667511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).