3-[(2,2-dichlorocyclopropyl)methyl-methylamino]cyclobutan-1-ol

C9H15Cl2NO — CID 130708462

IUPAC3-[(2,2-dichlorocyclopropyl)methyl-methylamino]cyclobutan-1-ol
SMILESCN(CC1CC1(Cl)Cl)C1CC(O)C1
InChIInChI=1S/C9H15Cl2NO/c1-12(7-2-8(13)3-7)5-6-4-9(6,10)11/h6-8,13H,2-5H2,1H3
InChIKeyLROIDINELVINSS-UHFFFAOYSA-N
MW224.13 g/mol
LogP1.64
Rot. Bonds3

About 3-[(2,2-dichlorocyclopropyl)methyl-methylamino]cyclobutan-1-ol

3-[(2,2-dichlorocyclopropyl)methyl-methylamino]cyclobutan-1-ol (PubChem CID 130708462) has the molecular formula C9H15Cl2NO and a molecular weight of 224.13 g/mol. Its IUPAC name is 3-[(2,2-dichlorocyclopropyl)methyl-methylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(2,2-dichlorocyclopropyl)methyl-methylamino]cyclobutan-1-ol
PubChem CID130708462
Molecular FormulaC9H15Cl2NO
Molecular Weight224.13 g/mol
Exact Mass223.05
IUPAC Name3-[(2,2-dichlorocyclopropyl)methyl-methylamino]cyclobutan-1-ol
SMILESCN(CC1CC1(Cl)Cl)C1CC(O)C1
InChIInChI=1S/C9H15Cl2NO/c1-12(7-2-8(13)3-7)5-6-4-9(6,10)11/h6-8,13H,2-5H2,1H3
InChIKeyLROIDINELVINSS-UHFFFAOYSA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[cyclopropylmethyl(methyl)amino]cyclobutan-1-ol;hydrochloride
CID 146675794
3-[ethyl(methyl)amino]cyclobutan-1-ol;hydrochloride
CID 146675792
3-[[(Z)-2,3-dichloroprop-2-enyl]-methylamino]cyclobutan-1-ol
CID 131346171
2-[(2,2-dichlorocyclopropyl)methyl-methylamino]ethanol
CID 115575518
3-[(4-ethylpiperazin-1-yl)methyl-methylamino]cyclobutan-1-ol
CID 171641637
3-[[(3-aminocyclopentyl)-methylamino]methyl]cyclobutan-1-ol
CID 79468938
N-[(2,2-difluorocyclopropyl)methyl]-3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride
CID 166258945
3-[ethyl(methyl)amino]cyclopentan-1-ol
CID 79643360
3-[methyl(oxolan-2-ylmethyl)amino]cyclopentan-1-ol
CID 79643838
2,2-dichlorocyclopropan-1-ol
CID 13351707
1,1-dichloro-2-(chloromethyl)cyclopropane
CID 10953803
1,1-dichloro-2-(2,2-dimethylbutyl)cyclopropane
CID 89112098

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dichlorocyclopropyl)methyl-methylamino]cyclobutan-1-ol?
The IUPAC name of 3-[(2,2-dichlorocyclopropyl)methyl-methylamino]cyclobutan-1-ol (CID 130708462) is 3-[(2,2-dichlorocyclopropyl)methyl-methylamino]cyclobutan-1-ol.
What is the SMILES notation for 3-[(2,2-dichlorocyclopropyl)methyl-methylamino]cyclobutan-1-ol?
The canonical SMILES for 3-[(2,2-dichlorocyclopropyl)methyl-methylamino]cyclobutan-1-ol is CN(CC1CC1(Cl)Cl)C1CC(O)C1.
What is the InChIKey of 3-[(2,2-dichlorocyclopropyl)methyl-methylamino]cyclobutan-1-ol?
The InChIKey is LROIDINELVINSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2NO/c1-12(7-2-8(13)3-7)5-6-4-9(6,10)11/h6-8,13H,2-5H2,1H3.
What are the key properties of 3-[(2,2-dichlorocyclopropyl)methyl-methylamino]cyclobutan-1-ol?
3-[(2,2-dichlorocyclopropyl)methyl-methylamino]cyclobutan-1-ol has a molecular weight of 224.13 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dichlorocyclopropyl)methyl-methylamino]cyclobutan-1-ol is sourced from PubChem (CID 130708462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).