cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methanamine;dihydrochloride

C10H13Cl2F3N2 — CID 66871394

IUPACcyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methanamine;dihydrochloride
SMILESCl.Cl.NC(c1ccc(C(F)(F)F)nc1)C1CC1
InChIInChI=1S/C10H11F3N2.2ClH/c11-10(12,13)8-4-3-7(5-15-8)9(14)6-1-2-6;;/h3-6,9H,1-2,14H2;2*1H
InChIKeyJQMFQFOLHRHQCB-UHFFFAOYSA-N
MW289.13 g/mol
LogP3.35
Rot. Bonds2

About cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methanamine;dihydrochloride

cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methanamine;dihydrochloride (PubChem CID 66871394) has the molecular formula C10H13Cl2F3N2 and a molecular weight of 289.13 g/mol. Its IUPAC name is cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methanamine;dihydrochloride.

Molecular Properties

Compound Namecyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methanamine;dihydrochloride
PubChem CID66871394
Molecular FormulaC10H13Cl2F3N2
Molecular Weight289.13 g/mol
Exact Mass288.04
IUPAC Namecyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methanamine;dihydrochloride
SMILESCl.Cl.NC(c1ccc(C(F)(F)F)nc1)C1CC1
InChIInChI=1S/C10H11F3N2.2ClH/c11-10(12,13)8-4-3-7(5-15-8)9(14)6-1-2-6;;/h3-6,9H,1-2,14H2;2*1H
InChIKeyJQMFQFOLHRHQCB-UHFFFAOYSA-N
XLogP3.35
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Anabasine
CID 205586
Nornicotine
CID 91462
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
Myosmine
CID 442649
5-Ethyl-2-methylpyridine
CID 7728
Anabaseine
CID 18985
2-(3-Phenylpropyl)Pyridine
CID 459494
(-)-Anatabine
CID 11388
2-Isobutylpyridine
CID 61385
2,3'-Bipyridine
CID 11389
Lanicemine
CID 9794203

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methanamine;dihydrochloride?
The IUPAC name of cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methanamine;dihydrochloride (CID 66871394) is cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methanamine;dihydrochloride.
What is the SMILES notation for cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methanamine;dihydrochloride?
The canonical SMILES for cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methanamine;dihydrochloride is Cl.Cl.NC(c1ccc(C(F)(F)F)nc1)C1CC1.
What is the InChIKey of cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methanamine;dihydrochloride?
The InChIKey is JQMFQFOLHRHQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2.2ClH/c11-10(12,13)8-4-3-7(5-15-8)9(14)6-1-2-6;;/h3-6,9H,1-2,14H2;2*1H.
What are the key properties of cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methanamine;dihydrochloride?
cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methanamine;dihydrochloride has a molecular weight of 289.13 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methanamine;dihydrochloride is sourced from PubChem (CID 66871394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).