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

C14H25F3N2 — CID 107473680

IUPAC4,4-dimethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine
SMILESCC(C)(C)CC(CN)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2/c1-13(2,3)8-11(9-18)10-19-6-4-12(5-7-19)14(15,16)17/h4,11H,5-10,18H2,1-3H3
InChIKeyCUSXZNKWBXKHKV-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.19
Rot. Bonds4

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

4,4-dimethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine (PubChem CID 107473680) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4,4-dimethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine
PubChem CID107473680
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC Name4,4-dimethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine
SMILESCC(C)(C)CC(CN)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2/c1-13(2,3)8-11(9-18)10-19-6-4-12(5-7-19)14(15,16)17/h4,11H,5-10,18H2,1-3H3
InChIKeyCUSXZNKWBXKHKV-UHFFFAOYSA-N
XLogP3.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.19
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

2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
CID 75437864
4-tert-butyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 162475450
3,3-difluoro-4-propan-2-yl-2,6-dihydro-1H-pyridine
CID 172353948
3,3-difluoro-4-propan-2-yl-2,6-dihydro-1H-pyridine;ethane
CID 177353262
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
2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine
CID 105435260
2,2-dimethyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 106708249
1-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 106982021
1-[[(3S)-piperidin-3-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 112737126
N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 113588400
3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4,4,4-trifluorobutan-1-amine
CID 113588647

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine?
The IUPAC name of 4,4-dimethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine (CID 107473680) is 4,4-dimethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine?
The canonical SMILES for 4,4-dimethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine is CC(C)(C)CC(CN)CN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 4,4-dimethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine?
The InChIKey is CUSXZNKWBXKHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-13(2,3)8-11(9-18)10-19-6-4-12(5-7-19)14(15,16)17/h4,11H,5-10,18H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine?
4,4-dimethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine has a molecular weight of 278.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine is sourced from PubChem (CID 107473680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).