2-N-ethyl-6-N-(6-methylheptan-2-yl)pyridine-2,6-diamine

C15H27N3 — CID 80800465

IUPAC2-N-ethyl-6-N-(6-methylheptan-2-yl)pyridine-2,6-diamine
SMILESCCNc1cccc(NC(C)CCCC(C)C)n1
InChIInChI=1S/C15H27N3/c1-5-16-14-10-7-11-15(18-14)17-13(4)9-6-8-12(2)3/h7,10-13H,5-6,8-9H2,1-4H3,(H2,16,17,18)
InChIKeyOGGCSEYGCHBELB-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.14
Rot. Bonds8

About 2-N-ethyl-6-N-(6-methylheptan-2-yl)pyridine-2,6-diamine

2-N-ethyl-6-N-(6-methylheptan-2-yl)pyridine-2,6-diamine (PubChem CID 80800465) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-N-ethyl-6-N-(6-methylheptan-2-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-(6-methylheptan-2-yl)pyridine-2,6-diamine
PubChem CID80800465
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-N-ethyl-6-N-(6-methylheptan-2-yl)pyridine-2,6-diamine
SMILESCCNc1cccc(NC(C)CCCC(C)C)n1
InChIInChI=1S/C15H27N3/c1-5-16-14-10-7-11-15(18-14)17-13(4)9-6-8-12(2)3/h7,10-13H,5-6,8-9H2,1-4H3,(H2,16,17,18)
InChIKeyOGGCSEYGCHBELB-UHFFFAOYSA-N
XLogP4.14
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-6-N-(4-methoxybutan-2-yl)pyridine-2,6-diamine
CID 80843613
6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine
CID 80803403
N-ethyl-6-(4-methylpentoxy)pyridin-2-amine
CID 80862265
N-(6-methylheptan-2-yl)pyridin-2-amine
CID 61472531
2-N-ethyl-6-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-2,6-diamine
CID 80824062
N-hexan-2-yl-6-methylpyridin-2-amine
CID 62199495
2-N-ethyl-6-N-[2-(3-methylbutoxy)ethyl]pyridine-2,6-diamine
CID 80820194
6-methyl-N-(5-methylhexan-2-yl)pyridin-2-amine
CID 63925700
6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine
CID 80783247
6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine
CID 107818930
6-fluoro-N-heptan-2-ylpyridin-2-amine
CID 61466659
6-N-[4-(dimethylamino)butan-2-yl]-2-N-propylpyridine-2,6-diamine
CID 80807099

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-(6-methylheptan-2-yl)pyridine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-(6-methylheptan-2-yl)pyridine-2,6-diamine (CID 80800465) is 2-N-ethyl-6-N-(6-methylheptan-2-yl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-(6-methylheptan-2-yl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-(6-methylheptan-2-yl)pyridine-2,6-diamine is CCNc1cccc(NC(C)CCCC(C)C)n1.
What is the InChIKey of 2-N-ethyl-6-N-(6-methylheptan-2-yl)pyridine-2,6-diamine?
The InChIKey is OGGCSEYGCHBELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-16-14-10-7-11-15(18-14)17-13(4)9-6-8-12(2)3/h7,10-13H,5-6,8-9H2,1-4H3,(H2,16,17,18).
What are the key properties of 2-N-ethyl-6-N-(6-methylheptan-2-yl)pyridine-2,6-diamine?
2-N-ethyl-6-N-(6-methylheptan-2-yl)pyridine-2,6-diamine has a molecular weight of 249.40 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-(6-methylheptan-2-yl)pyridine-2,6-diamine is sourced from PubChem (CID 80800465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).