4-ethyl-1-pyridin-3-yloctan-2-amine

C15H26N2 — CID 55087038

IUPAC4-ethyl-1-pyridin-3-yloctan-2-amine
SMILESCCCCC(CC)CC(N)Cc1cccnc1
InChIInChI=1S/C15H26N2/c1-3-5-7-13(4-2)10-15(16)11-14-8-6-9-17-12-14/h6,8-9,12-13,15H,3-5,7,10-11,16H2,1-2H3
InChIKeyDXCWTOONBGTKJA-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.56
Rot. Bonds8

About 4-ethyl-1-pyridin-3-yloctan-2-amine

4-ethyl-1-pyridin-3-yloctan-2-amine (PubChem CID 55087038) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-ethyl-1-pyridin-3-yloctan-2-amine.

Molecular Properties

Compound Name4-ethyl-1-pyridin-3-yloctan-2-amine
PubChem CID55087038
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-ethyl-1-pyridin-3-yloctan-2-amine
SMILESCCCCC(CC)CC(N)Cc1cccnc1
InChIInChI=1S/C15H26N2/c1-3-5-7-13(4-2)10-15(16)11-14-8-6-9-17-12-14/h6,8-9,12-13,15H,3-5,7,10-11,16H2,1-2H3
InChIKeyDXCWTOONBGTKJA-UHFFFAOYSA-N
XLogP3.56
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethylhexyl)pyridine
CID 57206063
1-pyridin-3-ylundecan-2-amine
CID 62603230
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine
CID 94470637
3-(2-hexyloctyl)pyridine
CID 167277838
4-ethyl-1-(3-methylphenyl)octan-2-amine
CID 63414791
5-ethyl-1-phenylnonan-3-amine
CID 63417135
6-ethyl-1-phenyldecan-4-amine
CID 105102887
1-propan-2-ylsulfanyl-3-pyridin-3-ylpropan-2-amine
CID 104736345
4-ethoxy-1-pyridin-3-ylbutan-2-amine
CID 112688280
1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine
CID 104736690
1-pyridin-3-ylhexan-3-amine
CID 64506028

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-pyridin-3-yloctan-2-amine?
The IUPAC name of 4-ethyl-1-pyridin-3-yloctan-2-amine (CID 55087038) is 4-ethyl-1-pyridin-3-yloctan-2-amine.
What is the SMILES notation for 4-ethyl-1-pyridin-3-yloctan-2-amine?
The canonical SMILES for 4-ethyl-1-pyridin-3-yloctan-2-amine is CCCCC(CC)CC(N)Cc1cccnc1.
What is the InChIKey of 4-ethyl-1-pyridin-3-yloctan-2-amine?
The InChIKey is DXCWTOONBGTKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-3-5-7-13(4-2)10-15(16)11-14-8-6-9-17-12-14/h6,8-9,12-13,15H,3-5,7,10-11,16H2,1-2H3.
What are the key properties of 4-ethyl-1-pyridin-3-yloctan-2-amine?
4-ethyl-1-pyridin-3-yloctan-2-amine has a molecular weight of 234.39 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-pyridin-3-yloctan-2-amine is sourced from PubChem (CID 55087038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).