3-N-ethyl-5-N-methyl-5-N-pentan-3-ylpyridine-3,5-diamine

C13H23N3 — CID 104533037

IUPAC3-N-ethyl-5-N-methyl-5-N-pentan-3-ylpyridine-3,5-diamine
SMILESCCNc1cncc(N(C)C(CC)CC)c1
InChIInChI=1S/C13H23N3/c1-5-12(6-2)16(4)13-8-11(15-7-3)9-14-10-13/h8-10,12,15H,5-7H2,1-4H3
InChIKeySDLJSJNHRGXYGX-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.14
Rot. Bonds6

About 3-N-ethyl-5-N-methyl-5-N-pentan-3-ylpyridine-3,5-diamine

3-N-ethyl-5-N-methyl-5-N-pentan-3-ylpyridine-3,5-diamine (PubChem CID 104533037) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-N-ethyl-5-N-methyl-5-N-pentan-3-ylpyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-5-N-methyl-5-N-pentan-3-ylpyridine-3,5-diamine
PubChem CID104533037
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-N-ethyl-5-N-methyl-5-N-pentan-3-ylpyridine-3,5-diamine
SMILESCCNc1cncc(N(C)C(CC)CC)c1
InChIInChI=1S/C13H23N3/c1-5-12(6-2)16(4)13-8-11(15-7-3)9-14-10-13/h8-10,12,15H,5-7H2,1-4H3
InChIKeySDLJSJNHRGXYGX-UHFFFAOYSA-N
XLogP3.14
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-ethyl-5-N-methyl-5-N-phenylpyridine-3,5-diamine
CID 104532448
5-N-butan-2-yl-5-N-butyl-3-N-ethylpyridine-3,5-diamine
CID 113423883
3-N-ethyl-5-N-(4-ethylphenyl)-5-N-methylpyridine-3,5-diamine
CID 104534081
3-N-ethyl-5-N-(4-methoxyphenyl)-5-N-methylpyridine-3,5-diamine
CID 104534077
5-N-methyl-5-N-(4-methylpentan-2-yl)-3-N-propylpyridine-3,5-diamine
CID 104533765
2-[butyl-[5-(ethylamino)-3-pyridinyl]amino]ethanol
CID 104533367
5-N-(cyclobutylmethyl)-3-N-ethyl-5-N-methylpyridine-3,5-diamine
CID 104534351
5-N-ethylpyridine-3,5-diamine
CID 104532571
3-[2-[[5-(ethylamino)-3-pyridinyl]amino]ethyl]-1,1-dimethylurea
CID 104535691
3-N-ethyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine
CID 104532945
5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-N-ethylpyridine-3,5-diamine
CID 104533595
5-N-butyl-3-N-ethylpyridine-3,5-diamine
CID 104532629

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-5-N-methyl-5-N-pentan-3-ylpyridine-3,5-diamine?
The IUPAC name of 3-N-ethyl-5-N-methyl-5-N-pentan-3-ylpyridine-3,5-diamine (CID 104533037) is 3-N-ethyl-5-N-methyl-5-N-pentan-3-ylpyridine-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-5-N-methyl-5-N-pentan-3-ylpyridine-3,5-diamine?
The canonical SMILES for 3-N-ethyl-5-N-methyl-5-N-pentan-3-ylpyridine-3,5-diamine is CCNc1cncc(N(C)C(CC)CC)c1.
What is the InChIKey of 3-N-ethyl-5-N-methyl-5-N-pentan-3-ylpyridine-3,5-diamine?
The InChIKey is SDLJSJNHRGXYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-12(6-2)16(4)13-8-11(15-7-3)9-14-10-13/h8-10,12,15H,5-7H2,1-4H3.
What are the key properties of 3-N-ethyl-5-N-methyl-5-N-pentan-3-ylpyridine-3,5-diamine?
3-N-ethyl-5-N-methyl-5-N-pentan-3-ylpyridine-3,5-diamine has a molecular weight of 221.35 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-5-N-methyl-5-N-pentan-3-ylpyridine-3,5-diamine is sourced from PubChem (CID 104533037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).