N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopropanamine

C11H17F3N2 — CID 114490100

IUPACN-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopropanamine
SMILESFC(F)(F)C1=CCN(CCNC2CC2)CC1
InChIInChI=1S/C11H17F3N2/c12-11(13,14)9-3-6-16(7-4-9)8-5-15-10-1-2-10/h3,10,15H,1-2,4-8H2
InChIKeyRCBNVXYRHABAJP-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.93
Rot. Bonds4

About N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopropanamine

N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopropanamine (PubChem CID 114490100) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopropanamine
PubChem CID114490100
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC NameN-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopropanamine
SMILESFC(F)(F)C1=CCN(CCNC2CC2)CC1
InChIInChI=1S/C11H17F3N2/c12-11(13,14)9-3-6-16(7-4-9)8-5-15-10-1-2-10/h3,10,15H,1-2,4-8H2
InChIKeyRCBNVXYRHABAJP-UHFFFAOYSA-N
XLogP1.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butyl]cyclopropanamine
CID 114460915
N-[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]cyclopropanamine
CID 114490726
N-[4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butyl]cyclopropanamine
CID 114491114
N-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine
CID 114410849
N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]cyclopropanamine
CID 114490536
N-(2-methylpropyl)-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
CID 114490623
1-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114489982
5,5-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-3-amine
CID 114490216
1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 114490242
4-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]aniline
CID 114489526
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
N-[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexyl]cyclopropanamine
CID 114413385

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopropanamine (CID 114490100) is N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopropanamine is FC(F)(F)C1=CCN(CCNC2CC2)CC1.
What is the InChIKey of N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopropanamine?
The InChIKey is RCBNVXYRHABAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2/c12-11(13,14)9-3-6-16(7-4-9)8-5-15-10-1-2-10/h3,10,15H,1-2,4-8H2.
What are the key properties of N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopropanamine?
N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopropanamine has a molecular weight of 234.26 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 114490100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).