6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine

C13H23N3 — CID 80770551

IUPAC6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NC(CC)CC)n1
InChIInChI=1S/C13H23N3/c1-4-10-14-12-8-7-9-13(16-12)15-11(5-2)6-3/h7-9,11H,4-6,10H2,1-3H3,(H2,14,15,16)
InChIKeyHDLQESYTWCHFAO-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.50
Rot. Bonds7

About 6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine

6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine (PubChem CID 80770551) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine
PubChem CID80770551
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NC(CC)CC)n1
InChIInChI=1S/C13H23N3/c1-4-10-14-12-8-7-9-13(16-12)15-11(5-2)6-3/h7-9,11H,4-6,10H2,1-3H3,(H2,14,15,16)
InChIKeyHDLQESYTWCHFAO-UHFFFAOYSA-N
XLogP3.50
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine
CID 80783247
3-phenyl-2-[[6-(propylamino)-2-pyridinyl]amino]propan-1-ol
CID 80813524
6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine
CID 80803403
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-[4-(dimethylamino)butan-2-yl]-2-N-propylpyridine-2,6-diamine
CID 80807099
6-N-[1-(3-chlorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 80802405
6-N-[1-(2-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 80802273
6-[[methyl(pentan-3-yl)amino]methyl]-N-propylpyridin-2-amine
CID 79243531
2-methylsulfanyl-3-[[6-(propylamino)-2-pyridinyl]amino]butan-1-ol
CID 106163426
6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine
CID 107818930
2-N,6-N-dipentylpyridine-2,6-diamine
CID 66709787

Frequently Asked Questions

What is the IUPAC name of 6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine (CID 80770551) is 6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine is CCCNc1cccc(NC(CC)CC)n1.
What is the InChIKey of 6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine?
The InChIKey is HDLQESYTWCHFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-10-14-12-8-7-9-13(16-12)15-11(5-2)6-3/h7-9,11H,4-6,10H2,1-3H3,(H2,14,15,16).
What are the key properties of 6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine?
6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine has a molecular weight of 221.35 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 80770551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).