1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethanamine

C15H25N3 — CID 104690178

IUPAC1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethanamine
SMILESCCC1CCCCCN1c1cc(C(C)N)ccn1
InChIInChI=1S/C15H25N3/c1-3-14-7-5-4-6-10-18(14)15-11-13(12(2)16)8-9-17-15/h8-9,11-12,14H,3-7,10,16H2,1-2H3
InChIKeyPPMLRSYSASECIZ-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.26
Rot. Bonds3

About 1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethanamine

1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethanamine (PubChem CID 104690178) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethanamine
PubChem CID104690178
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethanamine
SMILESCCC1CCCCCN1c1cc(C(C)N)ccn1
InChIInChI=1S/C15H25N3/c1-3-14-7-5-4-6-10-18(14)15-11-13(12(2)16)8-9-17-15/h8-9,11-12,14H,3-7,10,16H2,1-2H3
InChIKeyPPMLRSYSASECIZ-UHFFFAOYSA-N
XLogP3.26
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethyl]propan-1-amine
CID 104690210
1-[2-(2-ethylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 55054433
(1S)-1-[3-bromo-4-(2-ethylpiperidin-1-yl)phenyl]ethanamine
CID 63368268
(1S)-1-[3-chloro-4-(2-ethylazepan-1-yl)phenyl]ethanamine
CID 104690209
[2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542232
[4-(2-ethylazepan-1-yl)-2-pyridinyl]methanamine
CID 113441573
6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
CID 104693081
2-[(2R)-2-ethylpyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 93394486
1-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]propan-2-amine
CID 80633955
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
N-cyclohexyl-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112856254
1-[4-[(1S)-1-aminoethyl]-2-pyridinyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103196421

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethanamine?
The IUPAC name of 1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethanamine (CID 104690178) is 1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethanamine.
What is the SMILES notation for 1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethanamine?
The canonical SMILES for 1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethanamine is CCC1CCCCCN1c1cc(C(C)N)ccn1.
What is the InChIKey of 1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethanamine?
The InChIKey is PPMLRSYSASECIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-14-7-5-4-6-10-18(14)15-11-13(12(2)16)8-9-17-15/h8-9,11-12,14H,3-7,10,16H2,1-2H3.
What are the key properties of 1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethanamine?
1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethanamine has a molecular weight of 247.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethanamine is sourced from PubChem (CID 104690178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).