N,N-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine;hydrochloride

C11H17ClN2O — CID 22325080

IUPACN,N-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine;hydrochloride
SMILESCN(C)C1(COc2cccnc2)CC1.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-13(2)11(5-6-11)9-14-10-4-3-7-12-8-10;/h3-4,7-8H,5-6,9H2,1-2H3;1H
InChIKeyCALNBNTWFIWFOH-UHFFFAOYSA-N
MW228.72 g/mol
LogP1.98
Rot. Bonds4

About N,N-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine;hydrochloride

N,N-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine;hydrochloride (PubChem CID 22325080) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is N,N-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine;hydrochloride
PubChem CID22325080
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC NameN,N-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine;hydrochloride
SMILESCN(C)C1(COc2cccnc2)CC1.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-13(2)11(5-6-11)9-14-10-4-3-7-12-8-10;/h3-4,7-8H,5-6,9H2,1-2H3;1H
InChIKeyCALNBNTWFIWFOH-UHFFFAOYSA-N
XLogP1.98
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Tebanicline
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Ispronicline
CID 9824145
5-(5-Methoxy-3-pyridinyl)-N-methyl-4-penten-2-amine, (2S,4E)-
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3-Methoxypyridine
CID 23719
3-Pyridyl acetate
CID 87289
Norpyridostigmine
CID 98821
A-85380
CID 5310969
A-84543
CID 9794141
3-(2-(N,N,N-trimethylammonium)ethoxy)pyridine
CID 9794401

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine;hydrochloride (CID 22325080) is N,N-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine;hydrochloride is CN(C)C1(COc2cccnc2)CC1.Cl.
What is the InChIKey of N,N-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is CALNBNTWFIWFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.ClH/c1-13(2)11(5-6-11)9-14-10-4-3-7-12-8-10;/h3-4,7-8H,5-6,9H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine;hydrochloride?
N,N-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine;hydrochloride has a molecular weight of 228.72 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 22325080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).