N-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine

C11H18F3N5 — CID 102721008

IUPACN-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C11H18F3N5/c1-19(2)5-3-4-16-9-6-8(11(12,13)14)7-10(17-9)18-15/h6-7H,3-5,15H2,1-2H3,(H2,16,17,18)
InChIKeyIHPIMHGJAIHUQH-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.75
Rot. Bonds6

About N-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine

N-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 102721008) has the molecular formula C11H18F3N5 and a molecular weight of 277.29 g/mol. Its IUPAC name is N-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID102721008
Molecular FormulaC11H18F3N5
Molecular Weight277.29 g/mol
Exact Mass277.15
IUPAC NameN-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C11H18F3N5/c1-19(2)5-3-4-16-9-6-8(11(12,13)14)7-10(17-9)18-15/h6-7H,3-5,15H2,1-2H3,(H2,16,17,18)
InChIKeyIHPIMHGJAIHUQH-UHFFFAOYSA-N
XLogP1.75
TPSA66.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720771
6-hydrazinyl-4-(trifluoromethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine
CID 106434144
3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 102720469
6-hydrazinyl-4-(trifluoromethyl)-N-(2,4,4-trimethylpentan-2-yl)pyridin-2-amine
CID 102720633
2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethylurea
CID 102721067
6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717307
N-(2,3-dimethylbutyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720794
5-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 107324249
N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106043678
6-N-[4-[methyl(propan-2-yl)amino]butyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718227
4-N-[2-(dimethylamino)ethyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80932754
4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine
CID 112870568

Frequently Asked Questions

What is the IUPAC name of N-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine (CID 102721008) is N-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1cc(C(F)(F)F)cc(NN)n1.
What is the InChIKey of N-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is IHPIMHGJAIHUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5/c1-19(2)5-3-4-16-9-6-8(11(12,13)14)7-10(17-9)18-15/h6-7H,3-5,15H2,1-2H3,(H2,16,17,18).
What are the key properties of N-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine?
N-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 277.29 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102721008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).