N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine

C14H20F3N3 — CID 106618925

IUPACN-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)N(CC1CCCN1)c1ncccc1C(F)(F)F
InChIInChI=1S/C14H20F3N3/c1-10(2)20(9-11-5-3-7-18-11)13-12(14(15,16)17)6-4-8-19-13/h4,6,8,10-11,18H,3,5,7,9H2,1-2H3
InChIKeyZSGBKRZOOIROLF-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.07
Rot. Bonds4

About N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine

N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106618925) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106618925
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC NameN-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)N(CC1CCCN1)c1ncccc1C(F)(F)F
InChIInChI=1S/C14H20F3N3/c1-10(2)20(9-11-5-3-7-18-11)13-12(14(15,16)17)6-4-8-19-13/h4,6,8,10-11,18H,3,5,7,9H2,1-2H3
InChIKeyZSGBKRZOOIROLF-UHFFFAOYSA-N
XLogP3.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine
CID 106619125
N'-propan-2-yl-N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 55218815
3-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrazin-2-one
CID 106641472
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 83837370
3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carbonitrile
CID 106641480
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 106620669
5-amino-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 137004380
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,2,4-triazin-3-amine
CID 83838459
3-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106618690
3,5-dichloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106618965
3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carboxamide
CID 106641481
3-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620786

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine (CID 106618925) is N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine is CC(C)N(CC1CCCN1)c1ncccc1C(F)(F)F.
What is the InChIKey of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZSGBKRZOOIROLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-10(2)20(9-11-5-3-7-18-11)13-12(14(15,16)17)6-4-8-19-13/h4,6,8,10-11,18H,3,5,7,9H2,1-2H3.
What are the key properties of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine?
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 287.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106618925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).