6-ethoxy-N-(4-methylpentyl)pyridin-2-amine

C13H22N2O — CID 63589684

IUPAC6-ethoxy-N-(4-methylpentyl)pyridin-2-amine
SMILESCCOc1cccc(NCCCC(C)C)n1
InChIInChI=1S/C13H22N2O/c1-4-16-13-9-5-8-12(15-13)14-10-6-7-11(2)3/h5,8-9,11H,4,6-7,10H2,1-3H3,(H,14,15)
InChIKeyVDZMRDJILVGUJD-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.33
Rot. Bonds7

About 6-ethoxy-N-(4-methylpentyl)pyridin-2-amine

6-ethoxy-N-(4-methylpentyl)pyridin-2-amine (PubChem CID 63589684) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 6-ethoxy-N-(4-methylpentyl)pyridin-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-(4-methylpentyl)pyridin-2-amine
PubChem CID63589684
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name6-ethoxy-N-(4-methylpentyl)pyridin-2-amine
SMILESCCOc1cccc(NCCCC(C)C)n1
InChIInChI=1S/C13H22N2O/c1-4-16-13-9-5-8-12(15-13)14-10-6-7-11(2)3/h5,8-9,11H,4,6-7,10H2,1-3H3,(H,14,15)
InChIKeyVDZMRDJILVGUJD-UHFFFAOYSA-N
XLogP3.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-6-(4-methylpentoxy)pyridin-2-amine
CID 80862265
6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine
CID 63590219
5-[(6-ethoxy-2-pyridinyl)amino]pentan-1-ol
CID 107318017
6-(3-methylbutoxy)-N-propylpyridin-2-amine
CID 80859395
N-(2-chloroethyl)-6-ethoxypyridin-2-amine
CID 65029665
6-ethoxy-N-hex-5-ynylpyridin-2-amine
CID 106214456
6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine
CID 107818930
[6-(4-methylpentoxy)-2-pyridinyl]hydrazine
CID 80911157
methyl 3-[(6-ethoxy-2-pyridinyl)amino]propanoate
CID 63591109
N-methyl-6-(3-methylbutoxy)pyridin-2-amine
CID 80859136
6-ethoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 107851217
6-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 114186385

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(4-methylpentyl)pyridin-2-amine?
The IUPAC name of 6-ethoxy-N-(4-methylpentyl)pyridin-2-amine (CID 63589684) is 6-ethoxy-N-(4-methylpentyl)pyridin-2-amine.
What is the SMILES notation for 6-ethoxy-N-(4-methylpentyl)pyridin-2-amine?
The canonical SMILES for 6-ethoxy-N-(4-methylpentyl)pyridin-2-amine is CCOc1cccc(NCCCC(C)C)n1.
What is the InChIKey of 6-ethoxy-N-(4-methylpentyl)pyridin-2-amine?
The InChIKey is VDZMRDJILVGUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-16-13-9-5-8-12(15-13)14-10-6-7-11(2)3/h5,8-9,11H,4,6-7,10H2,1-3H3,(H,14,15).
What are the key properties of 6-ethoxy-N-(4-methylpentyl)pyridin-2-amine?
6-ethoxy-N-(4-methylpentyl)pyridin-2-amine has a molecular weight of 222.33 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(4-methylpentyl)pyridin-2-amine is sourced from PubChem (CID 63589684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).