N-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine

C14H23F3N2 — CID 114490643

IUPACN-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1CCC1N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C14H23F3N2/c1-2-7-18-10-11-3-4-13(11)19-8-5-12(6-9-19)14(15,16)17/h5,11,13,18H,2-4,6-10H2,1H3
InChIKeySTHQLMQXGPYIMH-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.96
Rot. Bonds5

About N-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine

N-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine (PubChem CID 114490643) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is N-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine
PubChem CID114490643
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC NameN-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1CCC1N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C14H23F3N2/c1-2-7-18-10-11-3-4-13(11)19-8-5-12(6-9-19)14(15,16)17/h5,11,13,18H,2-4,6-10H2,1H3
InChIKeySTHQLMQXGPYIMH-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(1,1-Difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 118357208
4-Propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 118697089
N-(3,3-difluorocyclobutyl)-4-methylcyclohex-3-en-1-amine;2-methylpropane
CID 154694577
3,3-difluoro-4-propan-2-yl-2,6-dihydro-1H-pyridine;ethane
CID 177353262
1-[(3-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 102776258
2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366474
3,3,3-trifluoro-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]propan-1-amine
CID 103366475
1-[(2-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 106741221
4,4-dimethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine
CID 107473680
3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4,4,4-trifluorobutan-1-amine
CID 113588647
N-propan-2-yl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 113591661
4,4-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-3-amine
CID 113591679

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine (CID 114490643) is N-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine is CCCNCC1CCC1N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of N-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine?
The InChIKey is STHQLMQXGPYIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2/c1-2-7-18-10-11-3-4-13(11)19-8-5-12(6-9-19)14(15,16)17/h5,11,13,18H,2-4,6-10H2,1H3.
What are the key properties of N-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine?
N-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine has a molecular weight of 276.35 g/mol, XLogP of 2.96, 5 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]cyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 114490643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).