6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine

C14H25N3 — CID 80783247

IUPAC6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NC(C)CC(C)C)n1
InChIInChI=1S/C14H25N3/c1-5-9-15-13-7-6-8-14(17-13)16-12(4)10-11(2)3/h6-8,11-12H,5,9-10H2,1-4H3,(H2,15,16,17)
InChIKeyKULJRXRBXZYCGR-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.75
Rot. Bonds7

About 6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine

6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine (PubChem CID 80783247) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine
PubChem CID80783247
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NC(C)CC(C)C)n1
InChIInChI=1S/C14H25N3/c1-5-9-15-13-7-6-8-14(17-13)16-12(4)10-11(2)3/h6-8,11-12H,5,9-10H2,1-4H3,(H2,15,16,17)
InChIKeyKULJRXRBXZYCGR-UHFFFAOYSA-N
XLogP3.75
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine
CID 80803403
6-N-[4-(dimethylamino)butan-2-yl]-2-N-propylpyridine-2,6-diamine
CID 80807099
6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine
CID 80770551
4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80783948
6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine
CID 107818930
4-methyl-3-[[6-(propylamino)-2-pyridinyl]amino]pentan-1-ol
CID 106358070
methyl 2-[[6-(propylamino)-2-pyridinyl]amino]propanoate
CID 80801764
6-N-[1-(2-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 80802273
2-cyclopropyl-4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80968154
6-N-[1-(3-chlorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 80802405
6-(3-methylbutoxy)-N-propylpyridin-2-amine
CID 80859395
2-methylsulfanyl-3-[[6-(propylamino)-2-pyridinyl]amino]butan-1-ol
CID 106163426

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine (CID 80783247) is 6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine is CCCNc1cccc(NC(C)CC(C)C)n1.
What is the InChIKey of 6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine?
The InChIKey is KULJRXRBXZYCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-9-15-13-7-6-8-14(17-13)16-12(4)10-11(2)3/h6-8,11-12H,5,9-10H2,1-4H3,(H2,15,16,17).
What are the key properties of 6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine?
6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine has a molecular weight of 235.37 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 80783247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).