5-N-pentan-3-yl-3-N-propylpyridine-3,5-diamine

C13H23N3 — CID 104532563

IUPAC5-N-pentan-3-yl-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(NC(CC)CC)c1
InChIInChI=1S/C13H23N3/c1-4-7-15-12-8-13(10-14-9-12)16-11(5-2)6-3/h8-11,15-16H,4-7H2,1-3H3
InChIKeyYWCXWZSXWDOGQO-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.50
Rot. Bonds7

About 5-N-pentan-3-yl-3-N-propylpyridine-3,5-diamine

5-N-pentan-3-yl-3-N-propylpyridine-3,5-diamine (PubChem CID 104532563) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 5-N-pentan-3-yl-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-pentan-3-yl-3-N-propylpyridine-3,5-diamine
PubChem CID104532563
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name5-N-pentan-3-yl-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(NC(CC)CC)c1
InChIInChI=1S/C13H23N3/c1-4-7-15-12-8-13(10-14-9-12)16-11(5-2)6-3/h8-11,15-16H,4-7H2,1-3H3
InChIKeyYWCXWZSXWDOGQO-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

3-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol
CID 104535704
3-methyl-2-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol
CID 104535214
5-N-(1-cyclopropylethyl)-3-N-propylpyridine-3,5-diamine
CID 104532953
5-N-(1-methoxy-3-methylbutan-2-yl)-3-N-propylpyridine-3,5-diamine
CID 113424095
5-N-(1-cyclopropylpropan-2-yl)-3-N-propylpyridine-3,5-diamine
CID 104534762
5-bromo-N-pentan-3-ylpyridin-3-amine
CID 115620552
5-N-(2-ethoxyethyl)-3-N-propylpyridine-3,5-diamine
CID 104533066
N-(2-methylpropyl)-2-[[5-(propylamino)-3-pyridinyl]amino]propanamide
CID 104535813
5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532378
3-N-propyl-5-N-(pyridin-4-ylmethyl)pyridine-3,5-diamine
CID 104532744
2-[[5-(propylamino)-3-pyridinyl]amino]ethanesulfonamide
CID 104532984
3-N-propyl-5-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-diamine
CID 104533484

Frequently Asked Questions

What is the IUPAC name of 5-N-pentan-3-yl-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-pentan-3-yl-3-N-propylpyridine-3,5-diamine (CID 104532563) is 5-N-pentan-3-yl-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-pentan-3-yl-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-pentan-3-yl-3-N-propylpyridine-3,5-diamine is CCCNc1cncc(NC(CC)CC)c1.
What is the InChIKey of 5-N-pentan-3-yl-3-N-propylpyridine-3,5-diamine?
The InChIKey is YWCXWZSXWDOGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-7-15-12-8-13(10-14-9-12)16-11(5-2)6-3/h8-11,15-16H,4-7H2,1-3H3.
What are the key properties of 5-N-pentan-3-yl-3-N-propylpyridine-3,5-diamine?
5-N-pentan-3-yl-3-N-propylpyridine-3,5-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 5-N-pentan-3-yl-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 104532563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).