N,N-dimethyl-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)propan-1-amine;trihydrochloride

C13H30Cl3N3 — CID 19046

IUPACN,N-dimethyl-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)propan-1-amine;trihydrochloride
SMILESCN(C)CCCN1CC2CCCC(C1)N2C.Cl.Cl.Cl
InChIInChI=1S/C13H27N3.3ClH/c1-14(2)8-5-9-16-10-12-6-4-7-13(11-16)15(12)3;;;/h12-13H,4-11H2,1-3H3;3*1H
InChIKeyXRPGXOSIPDRDEG-UHFFFAOYSA-N
MW334.76 g/mol
LogP2.37
Rot. Bonds4

About N,N-dimethyl-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)propan-1-amine;trihydrochloride

N,N-dimethyl-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)propan-1-amine;trihydrochloride (PubChem CID 19046) has the molecular formula C13H30Cl3N3 and a molecular weight of 334.76 g/mol. Its IUPAC name is N,N-dimethyl-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)propan-1-amine;trihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)propan-1-amine;trihydrochloride
PubChem CID19046
Molecular FormulaC13H30Cl3N3
Molecular Weight334.76 g/mol
Exact Mass333.15
IUPAC NameN,N-dimethyl-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)propan-1-amine;trihydrochloride
SMILESCN(C)CCCN1CC2CCCC(C1)N2C.Cl.Cl.Cl
InChIInChI=1S/C13H27N3.3ClH/c1-14(2)8-5-9-16-10-12-6-4-7-13(11-16)15(12)3;;;/h12-13H,4-11H2,1-3H3;3*1H
InChIKeyXRPGXOSIPDRDEG-UHFFFAOYSA-N
XLogP2.37
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)propan-1-amine;trihydrochloride?
The IUPAC name of N,N-dimethyl-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)propan-1-amine;trihydrochloride (CID 19046) is N,N-dimethyl-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)propan-1-amine;trihydrochloride.
What is the SMILES notation for N,N-dimethyl-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)propan-1-amine;trihydrochloride?
The canonical SMILES for N,N-dimethyl-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)propan-1-amine;trihydrochloride is CN(C)CCCN1CC2CCCC(C1)N2C.Cl.Cl.Cl.
What is the InChIKey of N,N-dimethyl-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)propan-1-amine;trihydrochloride?
The InChIKey is XRPGXOSIPDRDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3.3ClH/c1-14(2)8-5-9-16-10-12-6-4-7-13(11-16)15(12)3;;;/h12-13H,4-11H2,1-3H3;3*1H.
What are the key properties of N,N-dimethyl-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)propan-1-amine;trihydrochloride?
N,N-dimethyl-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)propan-1-amine;trihydrochloride has a molecular weight of 334.76 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)propan-1-amine;trihydrochloride is sourced from PubChem (CID 19046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).