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

C13H21F3N2 — CID 114490726

IUPACN-[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]cyclopropanamine
SMILESCC(CCNC1CC1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2/c1-10(4-7-17-12-2-3-12)18-8-5-11(6-9-18)13(14,15)16/h5,10,12,17H,2-4,6-9H2,1H3
InChIKeyFSKZCKLQTXYEFN-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.71
Rot. Bonds5

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

N-[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]cyclopropanamine (PubChem CID 114490726) has the molecular formula C13H21F3N2 and a molecular weight of 262.32 g/mol. Its IUPAC name is N-[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]cyclopropanamine
PubChem CID114490726
Molecular FormulaC13H21F3N2
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC NameN-[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]cyclopropanamine
SMILESCC(CCNC1CC1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2/c1-10(4-7-17-12-2-3-12)18-8-5-11(6-9-18)13(14,15)16/h5,10,12,17H,2-4,6-9H2,1H3
InChIKeyFSKZCKLQTXYEFN-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.71
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

N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopropanamine
CID 114490100
N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]cyclopropanamine
CID 114460805
N-[4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butyl]cyclopropanamine
CID 114491114
N-[3-(3,5-dimethylpiperidin-1-yl)butyl]cyclopropanamine
CID 62424497
N-[3-(3,4-dimethylpyrrolidin-1-yl)butyl]cyclopropanamine
CID 79183577
N-tert-butyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 114490704
N-[3-(4-phenylpiperazin-1-yl)butyl]cyclopropanamine
CID 62425823
N-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butyl]cyclopropanamine
CID 114460915
N-[3-(4-benzylpiperazin-1-yl)butyl]cyclopropanamine
CID 62425638
N-[3-(2-methylmorpholin-4-yl)butyl]cyclopropanamine
CID 62439473
N-[3-[4-(trifluoromethyl)phenyl]butyl]cyclopropanamine
CID 81019662
N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]cyclopropanamine
CID 114490536

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]cyclopropanamine?
The IUPAC name of N-[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]cyclopropanamine (CID 114490726) is N-[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]cyclopropanamine.
What is the SMILES notation for N-[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]cyclopropanamine?
The canonical SMILES for N-[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]cyclopropanamine is CC(CCNC1CC1)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of N-[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]cyclopropanamine?
The InChIKey is FSKZCKLQTXYEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2/c1-10(4-7-17-12-2-3-12)18-8-5-11(6-9-18)13(14,15)16/h5,10,12,17H,2-4,6-9H2,1H3.
What are the key properties of N-[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]cyclopropanamine?
N-[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]cyclopropanamine has a molecular weight of 262.32 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]cyclopropanamine is sourced from PubChem (CID 114490726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).