1-N,1-N-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine

C12H18F3N3 — CID 114908431

IUPAC1-N,1-N-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine
SMILESCC(CN(C)C)NCc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H18F3N3/c1-9(8-18(2)3)16-7-11-5-4-10(6-17-11)12(13,14)15/h4-6,9,16H,7-8H2,1-3H3
InChIKeySZWZCZNFSLNOQK-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.14
Rot. Bonds5

About 1-N,1-N-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine

1-N,1-N-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine (PubChem CID 114908431) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine
PubChem CID114908431
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name1-N,1-N-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine
SMILESCC(CN(C)C)NCc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H18F3N3/c1-9(8-18(2)3)16-7-11-5-4-10(6-17-11)12(13,14)15/h4-6,9,16H,7-8H2,1-3H3
InChIKeySZWZCZNFSLNOQK-UHFFFAOYSA-N
XLogP2.14
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-tert-butyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine
CID 114908428
1,1-dimethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 171822832
(1R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 168750275
(1R)-1-(5-chloro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 168750268
N-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]formamide
CID 171823264
1-N,1-N,3-trimethyl-2-N-[5-(trifluoromethyl)-2-pyridinyl]butane-1,2-diamine
CID 61479974
N-methyl-N-(2-methylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 133276838
N'-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,3-diamine
CID 114908451
6-[1-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]ethyl]pyridine-2-carbonitrile
CID 156830619
1-(6-isocyano-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 168750318
N'-methyl-N-propan-2-yl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 62585853
1-N,1-N-dimethyl-2-N-[(6-methyl-2-pyridinyl)methyl]propane-1,2-diamine
CID 82939144

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine (CID 114908431) is 1-N,1-N-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine is CC(CN(C)C)NCc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 1-N,1-N-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine?
The InChIKey is SZWZCZNFSLNOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-9(8-18(2)3)16-7-11-5-4-10(6-17-11)12(13,14)15/h4-6,9,16H,7-8H2,1-3H3.
What are the key properties of 1-N,1-N-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine?
1-N,1-N-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine has a molecular weight of 261.29 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine is sourced from PubChem (CID 114908431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).