[2,3-bis(dimethylamino)cyclopropyl] perchlorate

C7H15ClN2O4 — CID 134976868

IUPAC[2,3-bis(dimethylamino)cyclopropyl] perchlorate
SMILESCN(C)C1C(O[Cl+3]([O-])([O-])[O-])C1N(C)C
InChIInChI=1S/C7H15ClN2O4/c1-9(2)5-6(10(3)4)7(5)14-8(11,12)13/h5-7H,1-4H3
InChIKeyOPHOUHHEPBSSGI-UHFFFAOYSA-N
MW226.66 g/mol
LogP-3.86
Rot. Bonds4

About [2,3-bis(dimethylamino)cyclopropyl] perchlorate

[2,3-bis(dimethylamino)cyclopropyl] perchlorate (PubChem CID 134976868) has the molecular formula C7H15ClN2O4 and a molecular weight of 226.66 g/mol. Its IUPAC name is [2,3-bis(dimethylamino)cyclopropyl] perchlorate.

Molecular Properties

Compound Name[2,3-bis(dimethylamino)cyclopropyl] perchlorate
PubChem CID134976868
Molecular FormulaC7H15ClN2O4
Molecular Weight226.66 g/mol
Exact Mass226.07
IUPAC Name[2,3-bis(dimethylamino)cyclopropyl] perchlorate
SMILESCN(C)C1C(O[Cl+3]([O-])([O-])[O-])C1N(C)C
InChIInChI=1S/C7H15ClN2O4/c1-9(2)5-6(10(3)4)7(5)14-8(11,12)13/h5-7H,1-4H3
InChIKeyOPHOUHHEPBSSGI-UHFFFAOYSA-N
XLogP-3.86
TPSA84.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 5-3.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 58923790
(1S,4R)-N,N-dimethylbicyclo[2.1.0]pentan-5-amine
CID 130806116
N,N-dimethyladamantan-2-amine;hydrochloride
CID 25339
dimethylaminophosphanium perchlorate
CID 158506862
2,4,6-tris(dimethylamino)cyclohexane-1,3,5-triol;dihydrate;trihydrochloride
CID 173394267
(1R,2S,3S,4S)-2-(dimethylamino)-4-methoxycyclohexane-1,3-diol
CID 23266363
cyclopropyl N,N-dimethylcarbamate
CID 91507793
2-tert-butyl-3-(dimethylamino)-6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol
CID 123355857
2-(dimethylamino)-3-methylcyclobutane-1-carbonitrile
CID 141214441
[(4E)-cyclooct-4-en-1-yl] N,N-dimethylcarbamate
CID 90049693
(3R,4R,5S)-5-[(2S,3R,4S,5S,6R)-3,5-dimethoxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-2,6-dimethyloxan-3-ol
CID 118517821
4-(dimethylamino)oxane-2,3,5-triol
CID 123166220

Frequently Asked Questions

What is the IUPAC name of [2,3-bis(dimethylamino)cyclopropyl] perchlorate?
The IUPAC name of [2,3-bis(dimethylamino)cyclopropyl] perchlorate (CID 134976868) is [2,3-bis(dimethylamino)cyclopropyl] perchlorate.
What is the SMILES notation for [2,3-bis(dimethylamino)cyclopropyl] perchlorate?
The canonical SMILES for [2,3-bis(dimethylamino)cyclopropyl] perchlorate is CN(C)C1C(O[Cl+3]([O-])([O-])[O-])C1N(C)C.
What is the InChIKey of [2,3-bis(dimethylamino)cyclopropyl] perchlorate?
The InChIKey is OPHOUHHEPBSSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClN2O4/c1-9(2)5-6(10(3)4)7(5)14-8(11,12)13/h5-7H,1-4H3.
What are the key properties of [2,3-bis(dimethylamino)cyclopropyl] perchlorate?
[2,3-bis(dimethylamino)cyclopropyl] perchlorate has a molecular weight of 226.66 g/mol, XLogP of -3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(dimethylamino)cyclopropyl] perchlorate is sourced from PubChem (CID 134976868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).