N,N-dimethyl-3-azaspiro[5.5]undecan-9-amine;dihydrochloride

C12H26Cl2N2 — CID 119057091

IUPACN,N-dimethyl-3-azaspiro[5.5]undecan-9-amine;dihydrochloride
SMILESCN(C)C1CCC2(CCNCC2)CC1.Cl.Cl
InChIInChI=1S/C12H24N2.2ClH/c1-14(2)11-3-5-12(6-4-11)7-9-13-10-8-12;;/h11,13H,3-10H2,1-2H3;2*1H
InChIKeyVVTRPOYNLOEQNF-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.70
Rot. Bonds1

About N,N-dimethyl-3-azaspiro[5.5]undecan-9-amine;dihydrochloride

N,N-dimethyl-3-azaspiro[5.5]undecan-9-amine;dihydrochloride (PubChem CID 119057091) has the molecular formula C12H26Cl2N2 and a molecular weight of 269.26 g/mol. Its IUPAC name is N,N-dimethyl-3-azaspiro[5.5]undecan-9-amine;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-3-azaspiro[5.5]undecan-9-amine;dihydrochloride
PubChem CID119057091
Molecular FormulaC12H26Cl2N2
Molecular Weight269.26 g/mol
Exact Mass268.15
IUPAC NameN,N-dimethyl-3-azaspiro[5.5]undecan-9-amine;dihydrochloride
SMILESCN(C)C1CCC2(CCNCC2)CC1.Cl.Cl
InChIInChI=1S/C12H24N2.2ClH/c1-14(2)11-3-5-12(6-4-11)7-9-13-10-8-12;;/h11,13H,3-10H2,1-2H3;2*1H
InChIKeyVVTRPOYNLOEQNF-UHFFFAOYSA-N
XLogP2.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-azaspiro[5.5]undecan-9-amine;dihydrochloride?
The IUPAC name of N,N-dimethyl-3-azaspiro[5.5]undecan-9-amine;dihydrochloride (CID 119057091) is N,N-dimethyl-3-azaspiro[5.5]undecan-9-amine;dihydrochloride.
What is the SMILES notation for N,N-dimethyl-3-azaspiro[5.5]undecan-9-amine;dihydrochloride?
The canonical SMILES for N,N-dimethyl-3-azaspiro[5.5]undecan-9-amine;dihydrochloride is CN(C)C1CCC2(CCNCC2)CC1.Cl.Cl.
What is the InChIKey of N,N-dimethyl-3-azaspiro[5.5]undecan-9-amine;dihydrochloride?
The InChIKey is VVTRPOYNLOEQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.2ClH/c1-14(2)11-3-5-12(6-4-11)7-9-13-10-8-12;;/h11,13H,3-10H2,1-2H3;2*1H.
What are the key properties of N,N-dimethyl-3-azaspiro[5.5]undecan-9-amine;dihydrochloride?
N,N-dimethyl-3-azaspiro[5.5]undecan-9-amine;dihydrochloride has a molecular weight of 269.26 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-azaspiro[5.5]undecan-9-amine;dihydrochloride is sourced from PubChem (CID 119057091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).