N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine

C14H20F3N3 — CID 66331043

IUPACN-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(CNc1cc(C(F)(F)F)ccn1)CN1CCCC1
InChIInChI=1S/C14H20F3N3/c1-11(10-20-6-2-3-7-20)9-19-13-8-12(4-5-18-13)14(15,16)17/h4-5,8,11H,2-3,6-7,9-10H2,1H3,(H,18,19)
InChIKeyBSKXHDIVPAODPU-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.24
Rot. Bonds5

About N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine

N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 66331043) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID66331043
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(CNc1cc(C(F)(F)F)ccn1)CN1CCCC1
InChIInChI=1S/C14H20F3N3/c1-11(10-20-6-2-3-7-20)9-19-13-8-12(4-5-18-13)14(15,16)17/h4-5,8,11H,2-3,6-7,9-10H2,1H3,(H,18,19)
InChIKeyBSKXHDIVPAODPU-UHFFFAOYSA-N
XLogP3.24
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66328524
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine
CID 62994385
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 133297711
N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 62994036
4,4-dimethyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 103736559
N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine
CID 45158546
4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 66329465
N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66330886
4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile
CID 62994209
4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 62989891
6-hydrazinyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102720566
2-methyl-N'-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,5-diamine
CID 114151133

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine (CID 66331043) is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine is CC(CNc1cc(C(F)(F)F)ccn1)CN1CCCC1.
What is the InChIKey of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BSKXHDIVPAODPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-11(10-20-6-2-3-7-20)9-19-13-8-12(4-5-18-13)14(15,16)17/h4-5,8,11H,2-3,6-7,9-10H2,1H3,(H,18,19).
What are the key properties of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine?
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 287.33 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 66331043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).