4-N-methyl-4-N-pentan-3-yl-2-N-propylpyridine-2,4-diamine

C14H25N3 — CID 113367538

IUPAC4-N-methyl-4-N-pentan-3-yl-2-N-propylpyridine-2,4-diamine
SMILESCCCNc1cc(N(C)C(CC)CC)ccn1
InChIInChI=1S/C14H25N3/c1-5-9-15-14-11-13(8-10-16-14)17(4)12(6-2)7-3/h8,10-12H,5-7,9H2,1-4H3,(H,15,16)
InChIKeyNJOVLMWYVKCJSJ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.53
Rot. Bonds7

About 4-N-methyl-4-N-pentan-3-yl-2-N-propylpyridine-2,4-diamine

4-N-methyl-4-N-pentan-3-yl-2-N-propylpyridine-2,4-diamine (PubChem CID 113367538) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-N-methyl-4-N-pentan-3-yl-2-N-propylpyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-pentan-3-yl-2-N-propylpyridine-2,4-diamine
PubChem CID113367538
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name4-N-methyl-4-N-pentan-3-yl-2-N-propylpyridine-2,4-diamine
SMILESCCCNc1cc(N(C)C(CC)CC)ccn1
InChIInChI=1S/C14H25N3/c1-5-9-15-14-11-13(8-10-16-14)17(4)12(6-2)7-3/h8,10-12H,5-7,9H2,1-4H3,(H,15,16)
InChIKeyNJOVLMWYVKCJSJ-UHFFFAOYSA-N
XLogP3.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,4-diamine
CID 113368019
4-N-ethyl-4-N-(2-methylbutyl)-2-N-propylpyridine-2,4-diamine
CID 113367946
2-[[2-(ethylamino)-4-pyridinyl]-methylamino]propan-1-ol
CID 104557112
4-[[ethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62472407
4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-N-propylpyridine-2,4-diamine
CID 113367881
4-[[methyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469698
4-N-cyclopropyl-4-N-(2-methoxyethyl)-2-N-propylpyridine-2,4-diamine
CID 113367615
N-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide
CID 55042463
4-(diethylaminomethyl)-N-propylpyridin-2-amine
CID 62472000
4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-propylpyridine-2,4-diamine
CID 113367699
4-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 62465932
4-N-methyl-4-N-pentan-3-yl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967348

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-pentan-3-yl-2-N-propylpyridine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-pentan-3-yl-2-N-propylpyridine-2,4-diamine (CID 113367538) is 4-N-methyl-4-N-pentan-3-yl-2-N-propylpyridine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-pentan-3-yl-2-N-propylpyridine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-pentan-3-yl-2-N-propylpyridine-2,4-diamine is CCCNc1cc(N(C)C(CC)CC)ccn1.
What is the InChIKey of 4-N-methyl-4-N-pentan-3-yl-2-N-propylpyridine-2,4-diamine?
The InChIKey is NJOVLMWYVKCJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-9-15-14-11-13(8-10-16-14)17(4)12(6-2)7-3/h8,10-12H,5-7,9H2,1-4H3,(H,15,16).
What are the key properties of 4-N-methyl-4-N-pentan-3-yl-2-N-propylpyridine-2,4-diamine?
4-N-methyl-4-N-pentan-3-yl-2-N-propylpyridine-2,4-diamine has a molecular weight of 235.37 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-pentan-3-yl-2-N-propylpyridine-2,4-diamine is sourced from PubChem (CID 113367538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).