1-(azetidin-3-yl)-N,N-dimethylmethanamine;dihydrochloride

C6H16Cl2N2 — CID 23033542

IUPAC1-(azetidin-3-yl)-N,N-dimethylmethanamine;dihydrochloride
SMILESCN(C)CC1CNC1.Cl.Cl
InChIInChI=1S/C6H14N2.2ClH/c1-8(2)5-6-3-7-4-6;;/h6-7H,3-5H2,1-2H3;2*1H
InChIKeyZVHHFWKWIVLISO-UHFFFAOYSA-N
MW187.11 g/mol
LogP0.61
Rot. Bonds2

About 1-(azetidin-3-yl)-N,N-dimethylmethanamine;dihydrochloride

1-(azetidin-3-yl)-N,N-dimethylmethanamine;dihydrochloride (PubChem CID 23033542) has the molecular formula C6H16Cl2N2 and a molecular weight of 187.11 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N,N-dimethylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N,N-dimethylmethanamine;dihydrochloride
PubChem CID23033542
Molecular FormulaC6H16Cl2N2
Molecular Weight187.11 g/mol
Exact Mass186.07
IUPAC Name1-(azetidin-3-yl)-N,N-dimethylmethanamine;dihydrochloride
SMILESCN(C)CC1CNC1.Cl.Cl
InChIInChI=1S/C6H14N2.2ClH/c1-8(2)5-6-3-7-4-6;;/h6-7H,3-5H2,1-2H3;2*1H
InChIKeyZVHHFWKWIVLISO-UHFFFAOYSA-N
XLogP0.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.11
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N,N-dimethylmethanamine;dihydrochloride?
The IUPAC name of 1-(azetidin-3-yl)-N,N-dimethylmethanamine;dihydrochloride (CID 23033542) is 1-(azetidin-3-yl)-N,N-dimethylmethanamine;dihydrochloride.
What is the SMILES notation for 1-(azetidin-3-yl)-N,N-dimethylmethanamine;dihydrochloride?
The canonical SMILES for 1-(azetidin-3-yl)-N,N-dimethylmethanamine;dihydrochloride is CN(C)CC1CNC1.Cl.Cl.
What is the InChIKey of 1-(azetidin-3-yl)-N,N-dimethylmethanamine;dihydrochloride?
The InChIKey is ZVHHFWKWIVLISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.2ClH/c1-8(2)5-6-3-7-4-6;;/h6-7H,3-5H2,1-2H3;2*1H.
What are the key properties of 1-(azetidin-3-yl)-N,N-dimethylmethanamine;dihydrochloride?
1-(azetidin-3-yl)-N,N-dimethylmethanamine;dihydrochloride has a molecular weight of 187.11 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N,N-dimethylmethanamine;dihydrochloride is sourced from PubChem (CID 23033542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).