(2R)-2-methylazepane;N-methyl-5-(trifluoromethyl)pyridin-2-amine

C14H22F3N3 — CID 177317770

IUPAC(2R)-2-methylazepane;N-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCNc1ccc(C(F)(F)F)cn1.C[C@@H]1CCCCCN1
InChIInChI=1S/C7H7F3N2.C7H15N/c1-11-6-3-2-5(4-12-6)7(8,9)10;1-7-5-3-2-4-6-8-7/h2-4H,1H3,(H,11,12);7-8H,2-6H2,1H3/t;7-/m.1/s1
InChIKeyFXXNKKQKWCQQHX-HMZWWLAASA-N
MW289.34 g/mol
LogP3.68
Rot. Bonds1

About (2R)-2-methylazepane;N-methyl-5-(trifluoromethyl)pyridin-2-amine

(2R)-2-methylazepane;N-methyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 177317770) has the molecular formula C14H22F3N3 and a molecular weight of 289.34 g/mol. Its IUPAC name is (2R)-2-methylazepane;N-methyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name(2R)-2-methylazepane;N-methyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID177317770
Molecular FormulaC14H22F3N3
Molecular Weight289.34 g/mol
Exact Mass289.18
IUPAC Name(2R)-2-methylazepane;N-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCNc1ccc(C(F)(F)F)cn1.C[C@@H]1CCCCCN1
InChIInChI=1S/C7H7F3N2.C7H15N/c1-11-6-3-2-5(4-12-6)7(8,9)10;1-7-5-3-2-4-6-8-7/h2-4H,1H3,(H,11,12);7-8H,2-6H2,1H3/t;7-/m.1/s1
InChIKeyFXXNKKQKWCQQHX-HMZWWLAASA-N
XLogP3.68
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butylsulfanylcyclohexanamine;ethane;formaldehyde;N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 143889889
1-[(2S)-piperidin-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 58563887
N-piperidin-4-yl-5-(trifluoromethyl)pyridin-2-amine;trihydrochloride
CID 86276661
N-(2,2-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
CID 79870374
4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol
CID 167479090
N-[(3R,5R)-3,5-dimethylcyclohexyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97030726
N-(3,4-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
CID 64742884
N-cyclopentyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 47981886
2-[4-(trifluoromethyl)phenyl]azepane
CID 3972899
[5-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 1477642
2-methylpiperidine
CID 7974
N-(4-ethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
CID 63540704

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylazepane;N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of (2R)-2-methylazepane;N-methyl-5-(trifluoromethyl)pyridin-2-amine (CID 177317770) is (2R)-2-methylazepane;N-methyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for (2R)-2-methylazepane;N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for (2R)-2-methylazepane;N-methyl-5-(trifluoromethyl)pyridin-2-amine is CNc1ccc(C(F)(F)F)cn1.C[C@@H]1CCCCCN1.
What is the InChIKey of (2R)-2-methylazepane;N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is FXXNKKQKWCQQHX-HMZWWLAASA-N. The full InChI is InChI=1S/C7H7F3N2.C7H15N/c1-11-6-3-2-5(4-12-6)7(8,9)10;1-7-5-3-2-4-6-8-7/h2-4H,1H3,(H,11,12);7-8H,2-6H2,1H3/t;7-/m.1/s1.
What are the key properties of (2R)-2-methylazepane;N-methyl-5-(trifluoromethyl)pyridin-2-amine?
(2R)-2-methylazepane;N-methyl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 289.34 g/mol, XLogP of 3.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylazepane;N-methyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 177317770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).