2-cyclopropyl-3,3-dimethylazetidine;hydrochloride

C8H16ClN — CID 119031645

IUPAC2-cyclopropyl-3,3-dimethylazetidine;hydrochloride
SMILESCC1(C)CNC1C1CC1.Cl
InChIInChI=1S/C8H15N.ClH/c1-8(2)5-9-7(8)6-3-4-6;/h6-7,9H,3-5H2,1-2H3;1H
InChIKeyHIIGRPUBOAXFDC-UHFFFAOYSA-N
MW161.68 g/mol
LogP1.82
Rot. Bonds1

About 2-cyclopropyl-3,3-dimethylazetidine;hydrochloride

2-cyclopropyl-3,3-dimethylazetidine;hydrochloride (PubChem CID 119031645) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is 2-cyclopropyl-3,3-dimethylazetidine;hydrochloride.

Molecular Properties

Compound Name2-cyclopropyl-3,3-dimethylazetidine;hydrochloride
PubChem CID119031645
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Name2-cyclopropyl-3,3-dimethylazetidine;hydrochloride
SMILESCC1(C)CNC1C1CC1.Cl
InChIInChI=1S/C8H15N.ClH/c1-8(2)5-9-7(8)6-3-4-6;/h6-7,9H,3-5H2,1-2H3;1H
InChIKeyHIIGRPUBOAXFDC-UHFFFAOYSA-N
XLogP1.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3,3-dimethylazetidine;hydrochloride?
The IUPAC name of 2-cyclopropyl-3,3-dimethylazetidine;hydrochloride (CID 119031645) is 2-cyclopropyl-3,3-dimethylazetidine;hydrochloride.
What is the SMILES notation for 2-cyclopropyl-3,3-dimethylazetidine;hydrochloride?
The canonical SMILES for 2-cyclopropyl-3,3-dimethylazetidine;hydrochloride is CC1(C)CNC1C1CC1.Cl.
What is the InChIKey of 2-cyclopropyl-3,3-dimethylazetidine;hydrochloride?
The InChIKey is HIIGRPUBOAXFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.ClH/c1-8(2)5-9-7(8)6-3-4-6;/h6-7,9H,3-5H2,1-2H3;1H.
What are the key properties of 2-cyclopropyl-3,3-dimethylazetidine;hydrochloride?
2-cyclopropyl-3,3-dimethylazetidine;hydrochloride has a molecular weight of 161.68 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3,3-dimethylazetidine;hydrochloride is sourced from PubChem (CID 119031645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).