N-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)propan-2-amine;hydrochloride

C14H29ClN2O — CID 154776322

IUPACN-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)propan-2-amine;hydrochloride
SMILESCC(C)N(C)CC1CCC2(CCNCC2)CO1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-12(2)16(3)10-13-4-5-14(11-17-13)6-8-15-9-7-14;/h12-13,15H,4-11H2,1-3H3;1H
InChIKeyZIRVAIKEVADFFF-UHFFFAOYSA-N
MW276.85 g/mol
LogP2.30
Rot. Bonds3

About N-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)propan-2-amine;hydrochloride

N-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)propan-2-amine;hydrochloride (PubChem CID 154776322) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is N-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)propan-2-amine;hydrochloride
PubChem CID154776322
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC NameN-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)propan-2-amine;hydrochloride
SMILESCC(C)N(C)CC1CCC2(CCNCC2)CO1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-12(2)16(3)10-13-4-5-14(11-17-13)6-8-15-9-7-14;/h12-13,15H,4-11H2,1-3H3;1H
InChIKeyZIRVAIKEVADFFF-UHFFFAOYSA-N
XLogP2.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)propan-2-amine;hydrochloride?
The IUPAC name of N-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)propan-2-amine;hydrochloride (CID 154776322) is N-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)propan-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)propan-2-amine;hydrochloride?
The canonical SMILES for N-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)propan-2-amine;hydrochloride is CC(C)N(C)CC1CCC2(CCNCC2)CO1.Cl.
What is the InChIKey of N-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)propan-2-amine;hydrochloride?
The InChIKey is ZIRVAIKEVADFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-12(2)16(3)10-13-4-5-14(11-17-13)6-8-15-9-7-14;/h12-13,15H,4-11H2,1-3H3;1H.
What are the key properties of N-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)propan-2-amine;hydrochloride?
N-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)propan-2-amine;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 154776322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).