6-(azepan-1-yl)-N-ethylpyridin-2-amine

C13H21N3 — CID 80764538

IUPAC6-(azepan-1-yl)-N-ethylpyridin-2-amine
SMILESCCNc1cccc(N2CCCCCC2)n1
InChIInChI=1S/C13H21N3/c1-2-14-12-8-7-9-13(15-12)16-10-5-3-4-6-11-16/h7-9H,2-6,10-11H2,1H3,(H,14,15)
InChIKeyZXXFHKBEFPWDKU-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.89
Rot. Bonds3

About 6-(azepan-1-yl)-N-ethylpyridin-2-amine

6-(azepan-1-yl)-N-ethylpyridin-2-amine (PubChem CID 80764538) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-ethylpyridin-2-amine
PubChem CID80764538
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name6-(azepan-1-yl)-N-ethylpyridin-2-amine
SMILESCCNc1cccc(N2CCCCCC2)n1
InChIInChI=1S/C13H21N3/c1-2-14-12-8-7-9-13(15-12)16-10-5-3-4-6-11-16/h7-9H,2-6,10-11H2,1H3,(H,14,15)
InChIKeyZXXFHKBEFPWDKU-UHFFFAOYSA-N
XLogP2.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Diaminopyridine
CID 8861
1-(2-Pyridyl)piperazine
CID 94459
2-Pyridinamine, N-methyl-
CID 20727
2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
N1,N1-Dimethyl-N2-2-pyridinyl-1,2-ethanediamine
CID 90273
1-(Pyridin-2-YL)-1,4-diazepane
CID 2772402
Thiourea, N-butyl-N'-2-pyridinyl-
CID 3038252
N-Cyclohexylpyridin-2-amine
CID 84957
2-Allylaminopyridine
CID 260916
N-(propan-2-yl)pyridin-2-amine
CID 2366450
6-(Cyclohexylamino)pyridine-2-carbonitrile
CID 16108897
1-Methyl-4-(6-methylpyridin-2-yl)piperazine
CID 10655345

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-ethylpyridin-2-amine?
The IUPAC name of 6-(azepan-1-yl)-N-ethylpyridin-2-amine (CID 80764538) is 6-(azepan-1-yl)-N-ethylpyridin-2-amine.
What is the SMILES notation for 6-(azepan-1-yl)-N-ethylpyridin-2-amine?
The canonical SMILES for 6-(azepan-1-yl)-N-ethylpyridin-2-amine is CCNc1cccc(N2CCCCCC2)n1.
What is the InChIKey of 6-(azepan-1-yl)-N-ethylpyridin-2-amine?
The InChIKey is ZXXFHKBEFPWDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-14-12-8-7-9-13(15-12)16-10-5-3-4-6-11-16/h7-9H,2-6,10-11H2,1H3,(H,14,15).
What are the key properties of 6-(azepan-1-yl)-N-ethylpyridin-2-amine?
6-(azepan-1-yl)-N-ethylpyridin-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-ethylpyridin-2-amine is sourced from PubChem (CID 80764538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).