5-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine

C12H21N3 — CID 63842404

IUPAC5-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine
SMILESCCC(CC)C(C)Nc1ccc(N)nc1
InChIInChI=1S/C12H21N3/c1-4-10(5-2)9(3)15-11-6-7-12(13)14-8-11/h6-10,15H,4-5H2,1-3H3,(H2,13,14)
InChIKeyWEHGFVPHBGIQMT-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.90
Rot. Bonds5

About 5-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine

5-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine (PubChem CID 63842404) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine
PubChem CID63842404
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name5-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine
SMILESCCC(CC)C(C)Nc1ccc(N)nc1
InChIInChI=1S/C12H21N3/c1-4-10(5-2)9(3)15-11-6-7-12(13)14-8-11/h6-10,15H,4-5H2,1-3H3,(H2,13,14)
InChIKeyWEHGFVPHBGIQMT-UHFFFAOYSA-N
XLogP2.90
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Aminopyridine
CID 10439
2-Amino-4-methylpyridine
CID 1533
N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine
CID 43345
2-Amino-3-methylpyridine
CID 15347
2-Amino-5-methylpyridine
CID 15348
N-2-Pyridylaniline
CID 81130
1-(2-Pyridyl)piperazine
CID 94459
2,3-Diaminopyridine
CID 9956
2,5-Pyridinediamine
CID 20314
2-Pyridinamine, N-methyl-
CID 20727
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
2,4-Diaminopyridine
CID 68036

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine?
The IUPAC name of 5-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine (CID 63842404) is 5-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine.
What is the SMILES notation for 5-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine?
The canonical SMILES for 5-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine is CCC(CC)C(C)Nc1ccc(N)nc1.
What is the InChIKey of 5-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine?
The InChIKey is WEHGFVPHBGIQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-10(5-2)9(3)15-11-6-7-12(13)14-8-11/h6-10,15H,4-5H2,1-3H3,(H2,13,14).
What are the key properties of 5-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine?
5-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine has a molecular weight of 207.32 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine is sourced from PubChem (CID 63842404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).