1,1,1-trifluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-amine

C11H19F3N2 — CID 114462448

IUPAC1,1,1-trifluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-amine
SMILESCCC(N)C(N1CC=C(C)CC1)C(F)(F)F
InChIInChI=1S/C11H19F3N2/c1-3-9(15)10(11(12,13)14)16-6-4-8(2)5-7-16/h4,9-10H,3,5-7,15H2,1-2H3
InChIKeyRKKYIZIHYKIXMK-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.31
Rot. Bonds3

About 1,1,1-trifluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-amine

1,1,1-trifluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-amine (PubChem CID 114462448) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-amine
PubChem CID114462448
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name1,1,1-trifluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-amine
SMILESCCC(N)C(N1CC=C(C)CC1)C(F)(F)F
InChIInChI=1S/C11H19F3N2/c1-3-9(15)10(11(12,13)14)16-6-4-8(2)5-7-16/h4,9-10H,3,5-7,15H2,1-2H3
InChIKeyRKKYIZIHYKIXMK-UHFFFAOYSA-N
XLogP2.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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
2-(4-Methyl-1,2,3,6-tetrahydropyridin-1-yl)ethan-1-amine
CID 12700151
1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine
CID 88878018
(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
N-methyl-N-[3-(trifluoromethyl)cyclohex-3-en-1-yl]azetidin-3-amine
CID 134459450
2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 140862768

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-amine?
The IUPAC name of 1,1,1-trifluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-amine (CID 114462448) is 1,1,1-trifluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-amine is CCC(N)C(N1CC=C(C)CC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-amine?
The InChIKey is RKKYIZIHYKIXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-3-9(15)10(11(12,13)14)16-6-4-8(2)5-7-16/h4,9-10H,3,5-7,15H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-amine?
1,1,1-trifluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-amine has a molecular weight of 236.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-amine is sourced from PubChem (CID 114462448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).