4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine;dihydrochloride

C17H32Cl2N2O — CID 45155927

IUPAC4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine;dihydrochloride
SMILESCN(C)CC#CCN1CCCC2(CCOC(C)(C)C2)C1.Cl.Cl
InChIInChI=1S/C17H30N2O.2ClH/c1-16(2)14-17(9-13-20-16)8-7-12-19(15-17)11-6-5-10-18(3)4;;/h7-15H2,1-4H3;2*1H
InChIKeyAGWBPQJGVKHBPP-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.07
Rot. Bonds2

About 4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine;dihydrochloride

4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine;dihydrochloride (PubChem CID 45155927) has the molecular formula C17H32Cl2N2O and a molecular weight of 351.36 g/mol. Its IUPAC name is 4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine;dihydrochloride.

Molecular Properties

Compound Name4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine;dihydrochloride
PubChem CID45155927
Molecular FormulaC17H32Cl2N2O
Molecular Weight351.36 g/mol
Exact Mass350.19
IUPAC Name4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine;dihydrochloride
SMILESCN(C)CC#CCN1CCCC2(CCOC(C)(C)C2)C1.Cl.Cl
InChIInChI=1S/C17H30N2O.2ClH/c1-16(2)14-17(9-13-20-16)8-7-12-19(15-17)11-6-5-10-18(3)4;;/h7-15H2,1-4H3;2*1H
InChIKeyAGWBPQJGVKHBPP-UHFFFAOYSA-N
XLogP3.07
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine;dihydrochloride?
The IUPAC name of 4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine;dihydrochloride (CID 45155927) is 4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine;dihydrochloride.
What is the SMILES notation for 4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine;dihydrochloride?
The canonical SMILES for 4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine;dihydrochloride is CN(C)CC#CCN1CCCC2(CCOC(C)(C)C2)C1.Cl.Cl.
What is the InChIKey of 4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine;dihydrochloride?
The InChIKey is AGWBPQJGVKHBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O.2ClH/c1-16(2)14-17(9-13-20-16)8-7-12-19(15-17)11-6-5-10-18(3)4;;/h7-15H2,1-4H3;2*1H.
What are the key properties of 4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine;dihydrochloride?
4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine;dihydrochloride has a molecular weight of 351.36 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)-N,N-dimethylbut-2-yn-1-amine;dihydrochloride is sourced from PubChem (CID 45155927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).