N-ethyl-5-[[2-methylpropyl(pentan-3-yl)amino]methyl]pyridin-2-amine

C17H31N3 — CID 79490493

IUPACN-ethyl-5-[[2-methylpropyl(pentan-3-yl)amino]methyl]pyridin-2-amine
SMILESCCNc1ccc(CN(CC(C)C)C(CC)CC)cn1
InChIInChI=1S/C17H31N3/c1-6-16(7-2)20(12-14(4)5)13-15-9-10-17(18-8-3)19-11-15/h9-11,14,16H,6-8,12-13H2,1-5H3,(H,18,19)
InChIKeyUGHPYCFPTJRIOU-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.16
Rot. Bonds9

About N-ethyl-5-[[2-methylpropyl(pentan-3-yl)amino]methyl]pyridin-2-amine

N-ethyl-5-[[2-methylpropyl(pentan-3-yl)amino]methyl]pyridin-2-amine (PubChem CID 79490493) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-ethyl-5-[[2-methylpropyl(pentan-3-yl)amino]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[[2-methylpropyl(pentan-3-yl)amino]methyl]pyridin-2-amine
PubChem CID79490493
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-ethyl-5-[[2-methylpropyl(pentan-3-yl)amino]methyl]pyridin-2-amine
SMILESCCNc1ccc(CN(CC(C)C)C(CC)CC)cn1
InChIInChI=1S/C17H31N3/c1-6-16(7-2)20(12-14(4)5)13-15-9-10-17(18-8-3)19-11-15/h9-11,14,16H,6-8,12-13H2,1-5H3,(H,18,19)
InChIKeyUGHPYCFPTJRIOU-UHFFFAOYSA-N
XLogP4.16
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[2-methylpropyl(pentan-3-yl)amino]methyl]pyridin-2-amine?
The IUPAC name of N-ethyl-5-[[2-methylpropyl(pentan-3-yl)amino]methyl]pyridin-2-amine (CID 79490493) is N-ethyl-5-[[2-methylpropyl(pentan-3-yl)amino]methyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-5-[[2-methylpropyl(pentan-3-yl)amino]methyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-5-[[2-methylpropyl(pentan-3-yl)amino]methyl]pyridin-2-amine is CCNc1ccc(CN(CC(C)C)C(CC)CC)cn1.
What is the InChIKey of N-ethyl-5-[[2-methylpropyl(pentan-3-yl)amino]methyl]pyridin-2-amine?
The InChIKey is UGHPYCFPTJRIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-6-16(7-2)20(12-14(4)5)13-15-9-10-17(18-8-3)19-11-15/h9-11,14,16H,6-8,12-13H2,1-5H3,(H,18,19).
What are the key properties of N-ethyl-5-[[2-methylpropyl(pentan-3-yl)amino]methyl]pyridin-2-amine?
N-ethyl-5-[[2-methylpropyl(pentan-3-yl)amino]methyl]pyridin-2-amine has a molecular weight of 277.46 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[2-methylpropyl(pentan-3-yl)amino]methyl]pyridin-2-amine is sourced from PubChem (CID 79490493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).