N-cyclopropyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine

C15H22F3N3 — CID 62282660

IUPACN-cyclopropyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCC(C)CNCc1ccnc(N(CC(F)(F)F)C2CC2)c1
InChIInChI=1S/C15H22F3N3/c1-11(2)8-19-9-12-5-6-20-14(7-12)21(13-3-4-13)10-15(16,17)18/h5-7,11,13,19H,3-4,8-10H2,1-2H3
InChIKeyNCDHWCXPDNRMIU-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.36
Rot. Bonds7

About N-cyclopropyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine

N-cyclopropyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 62282660) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-cyclopropyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID62282660
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC NameN-cyclopropyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCC(C)CNCc1ccnc(N(CC(F)(F)F)C2CC2)c1
InChIInChI=1S/C15H22F3N3/c1-11(2)8-19-9-12-5-6-20-14(7-12)21(13-3-4-13)10-15(16,17)18/h5-7,11,13,19H,3-4,8-10H2,1-2H3
InChIKeyNCDHWCXPDNRMIU-UHFFFAOYSA-N
XLogP3.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of N-cyclopropyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 62282660) is N-cyclopropyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for N-cyclopropyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for N-cyclopropyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine is CC(C)CNCc1ccnc(N(CC(F)(F)F)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is NCDHWCXPDNRMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-11(2)8-19-9-12-5-6-20-14(7-12)21(13-3-4-13)10-15(16,17)18/h5-7,11,13,19H,3-4,8-10H2,1-2H3.
What are the key properties of N-cyclopropyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
N-cyclopropyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 301.36 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 62282660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).