1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C10H14F3N3 — CID 104822357

IUPAC1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)NCC(F)(F)F)cn1
InChIInChI=1S/C10H14F3N3/c1-7-2-3-8(5-15-7)9(4-14)16-6-10(11,12)13/h2-3,5,9,16H,4,6,14H2,1H3
InChIKeyYOLRLCCZCMBKGR-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.54
Rot. Bonds4

About 1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 104822357) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID104822357
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)NCC(F)(F)F)cn1
InChIInChI=1S/C10H14F3N3/c1-7-2-3-8(5-15-7)9(4-14)16-6-10(11,12)13/h2-3,5,9,16H,4,6,14H2,1H3
InChIKeyYOLRLCCZCMBKGR-UHFFFAOYSA-N
XLogP1.54
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
CID 104822344
N-[2-(diethylamino)ethyl]-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
CID 113457103
N-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
CID 104822348
N-methyl-1-(6-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215250
2-(6-methyl-3-pyridinyl)propan-1-amine
CID 81021181
ethane;(1S)-N-ethyl-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 143971638
N-ethyl-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-amine
CID 63156106
3-(ethylamino)-3-(6-methyl-3-pyridinyl)propanamide
CID 104823942
2-[(6-methyl-3-pyridinyl)oxy]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62584199
1-(2,3-difluorophenyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 65379273
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 65379062
5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridin-2-amine
CID 69288769

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of 1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 104822357) is 1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is Cc1ccc(C(CN)NCC(F)(F)F)cn1.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is YOLRLCCZCMBKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-7-2-3-8(5-15-7)9(4-14)16-6-10(11,12)13/h2-3,5,9,16H,4,6,14H2,1H3.
What are the key properties of 1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 233.24 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 104822357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).