2-N-hexylpyridine-2,5-diamine

C11H19N3 — CID 21487111

IUPAC2-N-hexylpyridine-2,5-diamine
SMILESCCCCCCNc1ccc(N)cn1
InChIInChI=1S/C11H19N3/c1-2-3-4-5-8-13-11-7-6-10(12)9-14-11/h6-7,9H,2-5,8,12H2,1H3,(H,13,14)
InChIKeyGPYAJKDNPJPPTD-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.66
Rot. Bonds6

About 2-N-hexylpyridine-2,5-diamine

2-N-hexylpyridine-2,5-diamine (PubChem CID 21487111) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-N-hexylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-hexylpyridine-2,5-diamine
PubChem CID21487111
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-N-hexylpyridine-2,5-diamine
SMILESCCCCCCNc1ccc(N)cn1
InChIInChI=1S/C11H19N3/c1-2-3-4-5-8-13-11-7-6-10(12)9-14-11/h6-7,9H,2-5,8,12H2,1H3,(H,13,14)
InChIKeyGPYAJKDNPJPPTD-UHFFFAOYSA-N
XLogP2.66
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-N-pentylpyridin-2-amine
CID 95437328
2-N-hexylpyrazine-2,5-diamine
CID 80652876
2-N-octylpyrazine-2,5-diamine
CID 115565252
6-(hexylamino)pyridine-3-carboxamide
CID 112722796
2-N-(4-propan-2-yloxybutyl)pyridine-2,5-diamine
CID 106006897
2-N-ethylpyridine-2,5-diamine;hydrochloride
CID 134080457
5-[(5-amino-2-pyridinyl)amino]pentan-2-ol
CID 106119738
6-(nonylamino)pyridine-3-carboxylic acid
CID 20503604
4-N-decylpyrimidine-2,4-diamine
CID 56985914
4-N-octylpyrimidine-2,4-diamine
CID 18766008
4-[(5-amino-2-pyridinyl)amino]butan-2-ol
CID 64928844
2-N-pentylpyridine-2,5-diamine;piperidine;N-(6-piperidin-1-ylhexyl)quinolin-2-amine
CID 69384441

Frequently Asked Questions

What is the IUPAC name of 2-N-hexylpyridine-2,5-diamine?
The IUPAC name of 2-N-hexylpyridine-2,5-diamine (CID 21487111) is 2-N-hexylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-hexylpyridine-2,5-diamine?
The canonical SMILES for 2-N-hexylpyridine-2,5-diamine is CCCCCCNc1ccc(N)cn1.
What is the InChIKey of 2-N-hexylpyridine-2,5-diamine?
The InChIKey is GPYAJKDNPJPPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-3-4-5-8-13-11-7-6-10(12)9-14-11/h6-7,9H,2-5,8,12H2,1H3,(H,13,14).
What are the key properties of 2-N-hexylpyridine-2,5-diamine?
2-N-hexylpyridine-2,5-diamine has a molecular weight of 193.29 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-hexylpyridine-2,5-diamine is sourced from PubChem (CID 21487111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).