N-methyl-N-(1,2-oxazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-amine

C15H25N3O — CID 56702505

IUPACN-methyl-N-(1,2-oxazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-amine
SMILESCN(Cc1ccno1)C1CCC2(CCNCC2)CC1
InChIInChI=1S/C15H25N3O/c1-18(12-14-4-9-17-19-14)13-2-5-15(6-3-13)7-10-16-11-8-15/h4,9,13,16H,2-3,5-8,10-12H2,1H3
InChIKeyJLXBQDNIIURFIV-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.42
Rot. Bonds3

About N-methyl-N-(1,2-oxazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-amine

N-methyl-N-(1,2-oxazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-amine (PubChem CID 56702505) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-methyl-N-(1,2-oxazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-amine.

Molecular Properties

Compound NameN-methyl-N-(1,2-oxazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-amine
PubChem CID56702505
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-methyl-N-(1,2-oxazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-amine
SMILESCN(Cc1ccno1)C1CCC2(CCNCC2)CC1
InChIInChI=1S/C15H25N3O/c1-18(12-14-4-9-17-19-14)13-2-5-15(6-3-13)7-10-16-11-8-15/h4,9,13,16H,2-3,5-8,10-12H2,1H3
InChIKeyJLXBQDNIIURFIV-UHFFFAOYSA-N
XLogP2.42
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,2-oxazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-amine?
The IUPAC name of N-methyl-N-(1,2-oxazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-amine (CID 56702505) is N-methyl-N-(1,2-oxazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-amine.
What is the SMILES notation for N-methyl-N-(1,2-oxazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-amine?
The canonical SMILES for N-methyl-N-(1,2-oxazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-amine is CN(Cc1ccno1)C1CCC2(CCNCC2)CC1.
What is the InChIKey of N-methyl-N-(1,2-oxazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-amine?
The InChIKey is JLXBQDNIIURFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-18(12-14-4-9-17-19-14)13-2-5-15(6-3-13)7-10-16-11-8-15/h4,9,13,16H,2-3,5-8,10-12H2,1H3.
What are the key properties of N-methyl-N-(1,2-oxazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-amine?
N-methyl-N-(1,2-oxazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-amine has a molecular weight of 263.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,2-oxazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-amine is sourced from PubChem (CID 56702505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).