5-N-(7-methyloctyl)pyridine-2,5-diamine

C14H25N3 — CID 107814726

IUPAC5-N-(7-methyloctyl)pyridine-2,5-diamine
SMILESCC(C)CCCCCCNc1ccc(N)nc1
InChIInChI=1S/C14H25N3/c1-12(2)7-5-3-4-6-10-16-13-8-9-14(15)17-11-13/h8-9,11-12,16H,3-7,10H2,1-2H3,(H2,15,17)
InChIKeyRQZDMMWLXJSRSV-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.68
Rot. Bonds8

About 5-N-(7-methyloctyl)pyridine-2,5-diamine

5-N-(7-methyloctyl)pyridine-2,5-diamine (PubChem CID 107814726) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-N-(7-methyloctyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(7-methyloctyl)pyridine-2,5-diamine
PubChem CID107814726
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name5-N-(7-methyloctyl)pyridine-2,5-diamine
SMILESCC(C)CCCCCCNc1ccc(N)nc1
InChIInChI=1S/C14H25N3/c1-12(2)7-5-3-4-6-10-16-13-8-9-14(15)17-11-13/h8-9,11-12,16H,3-7,10H2,1-2H3,(H2,15,17)
InChIKeyRQZDMMWLXJSRSV-UHFFFAOYSA-N
XLogP3.68
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.68
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-N-(4-methylpentyl)pyridine-2,5-diamine
CID 63004274
4-N-(6-methylheptyl)benzene-1,4-diamine
CID 141141781
N-(18-methylnonadecyl)aniline;hydrochloride
CID 173012868
5-fluoro-N-(7-methyloctyl)pyridin-2-amine
CID 107816143
5-N-hexan-2-ylpyridine-2,5-diamine
CID 62198332
4-(12-methyltridecylamino)benzoic acid
CID 21057297
6-N-(7-methyloctyl)pyridine-2,6-diamine
CID 114004472
2-[(6-amino-3-pyridinyl)amino]propan-1-ol
CID 43498943
4-[(6-amino-3-pyridinyl)amino]butanoic acid
CID 117044632
N-(18-methylnonadec-9-enyl)aniline
CID 154089870
4-N-(4-methylpentan-2-yl)-1-N-[10-[4-(4-methylpentan-2-ylamino)anilino]decyl]benzene-1,4-diamine
CID 126713435
(2-amino-2-oxoethyl) 4-(14-methylpentadecylamino)benzoate
CID 54443563

Frequently Asked Questions

What is the IUPAC name of 5-N-(7-methyloctyl)pyridine-2,5-diamine?
The IUPAC name of 5-N-(7-methyloctyl)pyridine-2,5-diamine (CID 107814726) is 5-N-(7-methyloctyl)pyridine-2,5-diamine.
What is the SMILES notation for 5-N-(7-methyloctyl)pyridine-2,5-diamine?
The canonical SMILES for 5-N-(7-methyloctyl)pyridine-2,5-diamine is CC(C)CCCCCCNc1ccc(N)nc1.
What is the InChIKey of 5-N-(7-methyloctyl)pyridine-2,5-diamine?
The InChIKey is RQZDMMWLXJSRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-12(2)7-5-3-4-6-10-16-13-8-9-14(15)17-11-13/h8-9,11-12,16H,3-7,10H2,1-2H3,(H2,15,17).
What are the key properties of 5-N-(7-methyloctyl)pyridine-2,5-diamine?
5-N-(7-methyloctyl)pyridine-2,5-diamine has a molecular weight of 235.37 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(7-methyloctyl)pyridine-2,5-diamine is sourced from PubChem (CID 107814726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).