2-N-benzyl-2-N-methyl-6-propoxypyridine-2,5-diamine

C16H21N3O — CID 43260749

IUPAC2-N-benzyl-2-N-methyl-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(N(C)Cc2ccccc2)ccc1N
InChIInChI=1S/C16H21N3O/c1-3-11-20-16-14(17)9-10-15(18-16)19(2)12-13-7-5-4-6-8-13/h4-10H,3,11-12,17H2,1-2H3
InChIKeyNVCWXIVMBXBSJM-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.09
Rot. Bonds6

About 2-N-benzyl-2-N-methyl-6-propoxypyridine-2,5-diamine

2-N-benzyl-2-N-methyl-6-propoxypyridine-2,5-diamine (PubChem CID 43260749) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-N-benzyl-2-N-methyl-6-propoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-benzyl-2-N-methyl-6-propoxypyridine-2,5-diamine
PubChem CID43260749
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-N-benzyl-2-N-methyl-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(N(C)Cc2ccccc2)ccc1N
InChIInChI=1S/C16H21N3O/c1-3-11-20-16-14(17)9-10-15(18-16)19(2)12-13-7-5-4-6-8-13/h4-10H,3,11-12,17H2,1-2H3
InChIKeyNVCWXIVMBXBSJM-UHFFFAOYSA-N
XLogP3.09
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-2-N-methyl-6-propoxypyridine-2,5-diamine?
The IUPAC name of 2-N-benzyl-2-N-methyl-6-propoxypyridine-2,5-diamine (CID 43260749) is 2-N-benzyl-2-N-methyl-6-propoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-benzyl-2-N-methyl-6-propoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-benzyl-2-N-methyl-6-propoxypyridine-2,5-diamine is CCCOc1nc(N(C)Cc2ccccc2)ccc1N.
What is the InChIKey of 2-N-benzyl-2-N-methyl-6-propoxypyridine-2,5-diamine?
The InChIKey is NVCWXIVMBXBSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-11-20-16-14(17)9-10-15(18-16)19(2)12-13-7-5-4-6-8-13/h4-10H,3,11-12,17H2,1-2H3.
What are the key properties of 2-N-benzyl-2-N-methyl-6-propoxypyridine-2,5-diamine?
2-N-benzyl-2-N-methyl-6-propoxypyridine-2,5-diamine has a molecular weight of 271.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-2-N-methyl-6-propoxypyridine-2,5-diamine is sourced from PubChem (CID 43260749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).