[1-(aminomethyl)cyclopropyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C11H15F3N2O — CID 114489847

IUPAC[1-(aminomethyl)cyclopropyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESNCC1(C(=O)N2CC=C(C(F)(F)F)CC2)CC1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)8-1-5-16(6-2-8)9(17)10(7-15)3-4-10/h1H,2-7,15H2
InChIKeyPKWJZJRQHNMSDV-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.45
Rot. Bonds2

About [1-(aminomethyl)cyclopropyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

[1-(aminomethyl)cyclopropyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 114489847) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID114489847
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name[1-(aminomethyl)cyclopropyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESNCC1(C(=O)N2CC=C(C(F)(F)F)CC2)CC1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)8-1-5-16(6-2-8)9(17)10(7-15)3-4-10/h1H,2-7,15H2
InChIKeyPKWJZJRQHNMSDV-UHFFFAOYSA-N
XLogP1.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 166815694
ethane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 177162613
[1-(aminomethyl)cyclobutyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113591629
3-amino-3-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 113591649
3-amino-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 113591651
4-amino-2,2-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 114285671
N-(3-aminopropyl)-N-methyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 114489698
3-amino-2,2-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114489799
2-(aminomethyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 114489814
3-(ethylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114489838
[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 114489840
3-(cyclopropylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114489851

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 114489847) is [1-(aminomethyl)cyclopropyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is NCC1(C(=O)N2CC=C(C(F)(F)F)CC2)CC1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is PKWJZJRQHNMSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c12-11(13,14)8-1-5-16(6-2-8)9(17)10(7-15)3-4-10/h1H,2-7,15H2.
What are the key properties of [1-(aminomethyl)cyclopropyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
[1-(aminomethyl)cyclopropyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 248.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 114489847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).