N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride

C17H29Cl2N3O — CID 154920630

IUPACN-methyl-N-[(2-methyl-4-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
SMILESCc1cc(CN(C)C2CCOC3(CCNCC3)C2)ccn1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-14-11-15(3-7-19-14)13-20(2)16-4-10-21-17(12-16)5-8-18-9-6-17;;/h3,7,11,16,18H,4-6,8-10,12-13H2,1-2H3;2*1H
InChIKeyZVLJSRQUOUTCAL-UHFFFAOYSA-N
MW362.35 g/mol
LogP2.97
Rot. Bonds3

About N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride

N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride (PubChem CID 154920630) has the molecular formula C17H29Cl2N3O and a molecular weight of 362.35 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-4-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
PubChem CID154920630
Molecular FormulaC17H29Cl2N3O
Molecular Weight362.35 g/mol
Exact Mass361.17
IUPAC NameN-methyl-N-[(2-methyl-4-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
SMILESCc1cc(CN(C)C2CCOC3(CCNCC3)C2)ccn1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-14-11-15(3-7-19-14)13-20(2)16-4-10-21-17(12-16)5-8-18-9-6-17;;/h3,7,11,16,18H,4-6,8-10,12-13H2,1-2H3;2*1H
InChIKeyZVLJSRQUOUTCAL-UHFFFAOYSA-N
XLogP2.97
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride with MolForge

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Related Compounds

N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
CID 154923559
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
CID 154919616
N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
CID 154923519
N-methyl-N-(quinoxalin-6-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 70725853
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
CID 154923998
1-[(4R)-2,2-dimethyloxan-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine
CID 99934815
4-[(4-methyl-2-pyridinyl)oxy]-1-oxa-9-azaspiro[5.5]undecane
CID 176515540
N-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine;hydrochloride
CID 71641683
(1R,2R)-1-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 31015982
N-methyl-N-(quinolin-5-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 70780716
N-methyl-N-(piperidin-4-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79899720
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methyloxan-4-amine
CID 63887848

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride?
The IUPAC name of N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride (CID 154920630) is N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride.
What is the SMILES notation for N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride?
The canonical SMILES for N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride is Cc1cc(CN(C)C2CCOC3(CCNCC3)C2)ccn1.Cl.Cl.
What is the InChIKey of N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride?
The InChIKey is ZVLJSRQUOUTCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.2ClH/c1-14-11-15(3-7-19-14)13-20(2)16-4-10-21-17(12-16)5-8-18-9-6-17;;/h3,7,11,16,18H,4-6,8-10,12-13H2,1-2H3;2*1H.
What are the key properties of N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride?
N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride has a molecular weight of 362.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-4-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride is sourced from PubChem (CID 154920630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).