N-ethyl-2-methyl-N-(2-methylbutyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine

C17H31N3 — CID 81247464

IUPACN-ethyl-2-methyl-N-(2-methylbutyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCCC(C)CN(CC)c1cc(C)ncc1CNC(C)C
InChIInChI=1S/C17H31N3/c1-7-14(5)12-20(8-2)17-9-15(6)19-11-16(17)10-18-13(3)4/h9,11,13-14,18H,7-8,10,12H2,1-6H3
InChIKeyQKZPXTBLBDBIPM-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.76
Rot. Bonds8

About N-ethyl-2-methyl-N-(2-methylbutyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine

N-ethyl-2-methyl-N-(2-methylbutyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine (PubChem CID 81247464) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(2-methylbutyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(2-methylbutyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
PubChem CID81247464
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-ethyl-2-methyl-N-(2-methylbutyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCCC(C)CN(CC)c1cc(C)ncc1CNC(C)C
InChIInChI=1S/C17H31N3/c1-7-14(5)12-20(8-2)17-9-15(6)19-11-16(17)10-18-13(3)4/h9,11,13-14,18H,7-8,10,12H2,1-6H3
InChIKeyQKZPXTBLBDBIPM-UHFFFAOYSA-N
XLogP3.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-(2-methylbutyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
The IUPAC name of N-ethyl-2-methyl-N-(2-methylbutyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine (CID 81247464) is N-ethyl-2-methyl-N-(2-methylbutyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-(2-methylbutyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
The canonical SMILES for N-ethyl-2-methyl-N-(2-methylbutyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine is CCC(C)CN(CC)c1cc(C)ncc1CNC(C)C.
What is the InChIKey of N-ethyl-2-methyl-N-(2-methylbutyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
The InChIKey is QKZPXTBLBDBIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-7-14(5)12-20(8-2)17-9-15(6)19-11-16(17)10-18-13(3)4/h9,11,13-14,18H,7-8,10,12H2,1-6H3.
What are the key properties of N-ethyl-2-methyl-N-(2-methylbutyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
N-ethyl-2-methyl-N-(2-methylbutyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine has a molecular weight of 277.46 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(2-methylbutyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 81247464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).