1-methylazetidin-3-amine;dihydrochloride

C4H12Cl2N2 — CID 44784901

IUPAC1-methylazetidin-3-amine;dihydrochloride
SMILESCN1CC(N)C1.Cl.Cl
InChIInChI=1S/C4H10N2.2ClH/c1-6-2-4(5)3-6;;/h4H,2-3,5H2,1H3;2*1H
InChIKeyVVNBEYKDTSEYRZ-UHFFFAOYSA-N
MW159.06 g/mol
LogP0.10
Rot. Bonds

About 1-methylazetidin-3-amine;dihydrochloride

1-methylazetidin-3-amine;dihydrochloride (PubChem CID 44784901) has the molecular formula C4H12Cl2N2 and a molecular weight of 159.06 g/mol. Its IUPAC name is 1-methylazetidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name1-methylazetidin-3-amine;dihydrochloride
PubChem CID44784901
Molecular FormulaC4H12Cl2N2
Molecular Weight159.06 g/mol
Exact Mass158.04
IUPAC Name1-methylazetidin-3-amine;dihydrochloride
SMILESCN1CC(N)C1.Cl.Cl
InChIInChI=1S/C4H10N2.2ClH/c1-6-2-4(5)3-6;;/h4H,2-3,5H2,1H3;2*1H
InChIKeyVVNBEYKDTSEYRZ-UHFFFAOYSA-N
XLogP0.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.06
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylazetidin-3-amine;dihydrochloride?
The IUPAC name of 1-methylazetidin-3-amine;dihydrochloride (CID 44784901) is 1-methylazetidin-3-amine;dihydrochloride.
What is the SMILES notation for 1-methylazetidin-3-amine;dihydrochloride?
The canonical SMILES for 1-methylazetidin-3-amine;dihydrochloride is CN1CC(N)C1.Cl.Cl.
What is the InChIKey of 1-methylazetidin-3-amine;dihydrochloride?
The InChIKey is VVNBEYKDTSEYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.2ClH/c1-6-2-4(5)3-6;;/h4H,2-3,5H2,1H3;2*1H.
What are the key properties of 1-methylazetidin-3-amine;dihydrochloride?
1-methylazetidin-3-amine;dihydrochloride has a molecular weight of 159.06 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylazetidin-3-amine;dihydrochloride is sourced from PubChem (CID 44784901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).