N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride

C15H28Cl2N4O — CID 154923559

IUPACN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
SMILESCc1cnc(CN(C)C2CCOC3(CCNCC3)C2)[nH]1.Cl.Cl
InChIInChI=1S/C15H26N4O.2ClH/c1-12-10-17-14(18-12)11-19(2)13-3-8-20-15(9-13)4-6-16-7-5-15;;/h10,13,16H,3-9,11H2,1-2H3,(H,17,18);2*1H
InChIKeyLNEGEDAXQCAOEW-UHFFFAOYSA-N
MW351.32 g/mol
LogP2.29
Rot. Bonds3

About N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride

N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride (PubChem CID 154923559) has the molecular formula C15H28Cl2N4O and a molecular weight of 351.32 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
PubChem CID154923559
Molecular FormulaC15H28Cl2N4O
Molecular Weight351.32 g/mol
Exact Mass350.16
IUPAC NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
SMILESCc1cnc(CN(C)C2CCOC3(CCNCC3)C2)[nH]1.Cl.Cl
InChIInChI=1S/C15H26N4O.2ClH/c1-12-10-17-14(18-12)11-19(2)13-3-8-20-15(9-13)4-6-16-7-5-15;;/h10,13,16H,3-9,11H2,1-2H3,(H,17,18);2*1H
InChIKeyLNEGEDAXQCAOEW-UHFFFAOYSA-N
XLogP2.29
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride?
The IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride (CID 154923559) is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride is Cc1cnc(CN(C)C2CCOC3(CCNCC3)C2)[nH]1.Cl.Cl.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride?
The InChIKey is LNEGEDAXQCAOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O.2ClH/c1-12-10-17-14(18-12)11-19(2)13-3-8-20-15(9-13)4-6-16-7-5-15;;/h10,13,16H,3-9,11H2,1-2H3,(H,17,18);2*1H.
What are the key properties of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride?
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride has a molecular weight of 351.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride is sourced from PubChem (CID 154923559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).