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

C12H21F3N2 — CID 114490129

IUPAC2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine
SMILESCCCC(CN)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2/c1-2-3-10(8-16)9-17-6-4-11(5-7-17)12(13,14)15/h4,10H,2-3,5-9,16H2,1H3
InChIKeyDAIVQBRYMLZSQD-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.56
Rot. Bonds5

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

2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine (PubChem CID 114490129) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine
PubChem CID114490129
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine
SMILESCCCC(CN)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2/c1-2-3-10(8-16)9-17-6-4-11(5-7-17)12(13,14)15/h4,10H,2-3,5-9,16H2,1H3
InChIKeyDAIVQBRYMLZSQD-UHFFFAOYSA-N
XLogP2.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.56
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,N'-dibutyl-N'-[(E)-4,6-difluoro-2-methylidenehex-3-enyl]-2-methylpentane-1,5-diamine
CID 89204481
N,N'-dibutyl-N'-[(E)-4,6-difluoro-2-methylhex-3-enyl]-2-methylpentane-1,5-diamine
CID 89204484
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
4-[5-(2-aminoethyl)-3-(4,4-difluoropentyl)-3,6-dihydro-2H-pyridin-1-yl]penta-1,4-dien-2-amine
CID 130183312
4-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 155484976
(Z)-5-fluoro-N,N'-dimethyl-N'-(2-methylpentyl)hept-2-ene-1,7-diamine
CID 169880743
3-Fluoro-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 172345431
3,3-difluoro-4-propan-2-yl-2,6-dihydro-1H-pyridine
CID 172353948
1-(2,2-difluoroethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 176702205
3,3-difluoro-4-propan-2-yl-2,6-dihydro-1H-pyridine;ethane
CID 177353262
4-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine
CID 79206988

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine?
The IUPAC name of 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine (CID 114490129) is 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine.
What is the SMILES notation for 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine?
The canonical SMILES for 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine is CCCC(CN)CN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine?
The InChIKey is DAIVQBRYMLZSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-2-3-10(8-16)9-17-6-4-11(5-7-17)12(13,14)15/h4,10H,2-3,5-9,16H2,1H3.
What are the key properties of 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine?
2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine has a molecular weight of 250.31 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine is sourced from PubChem (CID 114490129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).