1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine

C11H19F3N2 — CID 114490123

IUPAC1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine
SMILESCCCC(N)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2/c1-2-3-10(15)8-16-6-4-9(5-7-16)11(12,13)14/h4,10H,2-3,5-8,15H2,1H3
InChIKeyOLJLBCFITUJSPT-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.31
Rot. Bonds4

About 1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine

1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine (PubChem CID 114490123) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine
PubChem CID114490123
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine
SMILESCCCC(N)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2/c1-2-3-10(15)8-16-6-4-9(5-7-16)11(12,13)14/h4,10H,2-3,5-8,15H2,1H3
InChIKeyOLJLBCFITUJSPT-UHFFFAOYSA-N
XLogP2.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.31
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

1-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethan-1-amine
CID 71758631
3-ethyl-6-fluoro-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine
CID 124007959
(Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine
CID 129313875
(1S,2S)-1-N-tert-butyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134429382
(1R,2R)-2-N-tert-butyl-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134429404
(1S,2S)-1-N,1-N,2-N-trimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134429440
(1S,2S)-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134438056
(1R,2R)-1-N,1-N-dimethyl-2-N-(2-methylbutan-2-yl)-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134438486
(1R,2R)-1-N,1-N,2-N-trimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134459118
2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 140862768
2-N-methyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 144081422
(E)-7,7-difluoro-2-methylidene-N-propan-2-yloct-5-en-1-amine
CID 145011962

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine?
The IUPAC name of 1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine (CID 114490123) is 1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine.
What is the SMILES notation for 1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine?
The canonical SMILES for 1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine is CCCC(N)CN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine?
The InChIKey is OLJLBCFITUJSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-2-3-10(15)8-16-6-4-9(5-7-16)11(12,13)14/h4,10H,2-3,5-8,15H2,1H3.
What are the key properties of 1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine?
1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine has a molecular weight of 236.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine is sourced from PubChem (CID 114490123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).