2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridin-3-amine

C16H28F3N3 — CID 159089953

IUPAC2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridin-3-amine
SMILESCC(C)(C)CN.CC(C)(C)CNc1cncc(C(F)(F)F)c1
InChIInChI=1S/C11H15F3N2.C5H13N/c1-10(2,3)7-16-9-4-8(5-15-6-9)11(12,13)14;1-5(2,3)4-6/h4-6,16H,7H2,1-3H3;4,6H2,1-3H3
InChIKeyKBXXJJWEAPNDPT-UHFFFAOYSA-N
MW319.42 g/mol
LogP4.55
Rot. Bonds2

About 2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridin-3-amine

2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridin-3-amine (PubChem CID 159089953) has the molecular formula C16H28F3N3 and a molecular weight of 319.42 g/mol. Its IUPAC name is 2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridin-3-amine
PubChem CID159089953
Molecular FormulaC16H28F3N3
Molecular Weight319.42 g/mol
Exact Mass319.22
IUPAC Name2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridin-3-amine
SMILESCC(C)(C)CN.CC(C)(C)CNc1cncc(C(F)(F)F)c1
InChIInChI=1S/C11H15F3N2.C5H13N/c1-10(2,3)7-16-9-4-8(5-15-6-9)11(12,13)14;1-5(2,3)4-6/h4-6,16H,7H2,1-3H3;4,6H2,1-3H3
InChIKeyKBXXJJWEAPNDPT-UHFFFAOYSA-N
XLogP4.55
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline
CID 116699062
N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-3-amine
CID 90965106
N-methyl-5-(trifluoromethyl)pyridin-3-amine;pyridine
CID 21221267
3-N-ethyl-5-N-(2,2,3,3-tetrafluoropropyl)pyridine-3,5-diamine
CID 106296062
3-methyl-5-(trifluoromethyl)pyridine
CID 143745835
3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]pyridine-3,5-diamine
CID 104532313
3-N-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-diamine
CID 104534362
3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 115008941
6-phenyl-4-propan-2-yl-2-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-1,3,5-triazine-2,4-diamine
CID 152759038
5-(trifluoromethyl)pyridine-3-thiolate
CID 165348790
3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine;hydrochloride
CID 118798658
ethyl 3-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]propanoate
CID 165166476

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridin-3-amine (CID 159089953) is 2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridin-3-amine is CC(C)(C)CN.CC(C)(C)CNc1cncc(C(F)(F)F)c1.
What is the InChIKey of 2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridin-3-amine?
The InChIKey is KBXXJJWEAPNDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2.C5H13N/c1-10(2,3)7-16-9-4-8(5-15-6-9)11(12,13)14;1-5(2,3)4-6/h4-6,16H,7H2,1-3H3;4,6H2,1-3H3.
What are the key properties of 2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridin-3-amine?
2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridin-3-amine has a molecular weight of 319.42 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 159089953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).