2-N-octan-4-ylpyridine-2,4-diamine

C13H23N3 — CID 106022683

IUPAC2-N-octan-4-ylpyridine-2,4-diamine
SMILESCCCCC(CCC)Nc1cc(N)ccn1
InChIInChI=1S/C13H23N3/c1-3-5-7-12(6-4-2)16-13-10-11(14)8-9-15-13/h8-10,12H,3-7H2,1-2H3,(H3,14,15,16)
InChIKeySQDRUKNPBGPBKZ-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.43
Rot. Bonds7

About 2-N-octan-4-ylpyridine-2,4-diamine

2-N-octan-4-ylpyridine-2,4-diamine (PubChem CID 106022683) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-N-octan-4-ylpyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-octan-4-ylpyridine-2,4-diamine
PubChem CID106022683
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-N-octan-4-ylpyridine-2,4-diamine
SMILESCCCCC(CCC)Nc1cc(N)ccn1
InChIInChI=1S/C13H23N3/c1-3-5-7-12(6-4-2)16-13-10-11(14)8-9-15-13/h8-10,12H,3-7H2,1-2H3,(H3,14,15,16)
InChIKeySQDRUKNPBGPBKZ-UHFFFAOYSA-N
XLogP3.43
TPSA50.94 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 ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-nitro-N-octan-4-ylpyridin-2-amine
CID 106026446
N-octan-4-yl-6-propylpyrimidin-4-amine
CID 106026552
3-N-octan-4-ylpyridine-2,3-diamine
CID 106022702
2-ethyl-4-N-octan-4-ylpyrimidine-4,6-diamine
CID 106028697
5-methoxy-N-octan-4-ylpyridin-2-amine
CID 114138454
2-N-pent-1-yn-3-ylpyridine-2,4-diamine
CID 106233105
4-N-octan-4-yl-2-propylpyrimidine-4,6-diamine
CID 106028699
N-tridecan-6-ylpyridin-2-amine
CID 170412016
2-[(4-amino-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 79248276
3-methyl-N-octan-4-ylpyrazin-2-amine
CID 106026404
2-N-(6-propan-2-ylpyrimidin-4-yl)hexane-1,2-diamine
CID 80704516
6-ethoxy-2-methyl-N-octan-4-ylpyrimidin-4-amine
CID 106026606

Frequently Asked Questions

What is the IUPAC name of 2-N-octan-4-ylpyridine-2,4-diamine?
The IUPAC name of 2-N-octan-4-ylpyridine-2,4-diamine (CID 106022683) is 2-N-octan-4-ylpyridine-2,4-diamine.
What is the SMILES notation for 2-N-octan-4-ylpyridine-2,4-diamine?
The canonical SMILES for 2-N-octan-4-ylpyridine-2,4-diamine is CCCCC(CCC)Nc1cc(N)ccn1.
What is the InChIKey of 2-N-octan-4-ylpyridine-2,4-diamine?
The InChIKey is SQDRUKNPBGPBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-5-7-12(6-4-2)16-13-10-11(14)8-9-15-13/h8-10,12H,3-7H2,1-2H3,(H3,14,15,16).
What are the key properties of 2-N-octan-4-ylpyridine-2,4-diamine?
2-N-octan-4-ylpyridine-2,4-diamine has a molecular weight of 221.35 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-octan-4-ylpyridine-2,4-diamine is sourced from PubChem (CID 106022683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).