N-ethyl-1-(6-methyl-3-pyridinyl)octan-1-amine

C16H28N2 — CID 115855028

IUPACN-ethyl-1-(6-methyl-3-pyridinyl)octan-1-amine
SMILESCCCCCCCC(NCC)c1ccc(C)nc1
InChIInChI=1S/C16H28N2/c1-4-6-7-8-9-10-16(17-5-2)15-12-11-14(3)18-13-15/h11-13,16-17H,4-10H2,1-3H3
InChIKeyOFXUXXDTYQVHAF-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.40
Rot. Bonds9

About N-ethyl-1-(6-methyl-3-pyridinyl)octan-1-amine

N-ethyl-1-(6-methyl-3-pyridinyl)octan-1-amine (PubChem CID 115855028) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-ethyl-1-(6-methyl-3-pyridinyl)octan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(6-methyl-3-pyridinyl)octan-1-amine
PubChem CID115855028
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-ethyl-1-(6-methyl-3-pyridinyl)octan-1-amine
SMILESCCCCCCCC(NCC)c1ccc(C)nc1
InChIInChI=1S/C16H28N2/c1-4-6-7-8-9-10-16(17-5-2)15-12-11-14(3)18-13-15/h11-13,16-17H,4-10H2,1-3H3
InChIKeyOFXUXXDTYQVHAF-UHFFFAOYSA-N
XLogP4.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(6-methyl-3-pyridinyl)undecan-1-amine
CID 105138195
N-methyl-1-(6-methyl-3-pyridinyl)nonan-1-amine
CID 115854494
N-ethyl-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-amine
CID 63156106
ethane;(1S)-N-ethyl-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 143971638
N-ethyl-1-(5-methylpyrazin-2-yl)decan-1-amine
CID 105124396
4-ethoxy-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 105146367
5-decan-5-yl-2-methylpyridine
CID 91157636
1-(4-butoxyphenyl)-N-ethylheptan-1-amine
CID 105125826
2-(2,6-dimethylphenyl)-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105174614
N-ethyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine
CID 63155925
1-(2,6-dimethyl-4-pyridinyl)-N-ethylhexan-1-amine
CID 107503711
N-ethyl-2-methyl-1-(6-methyl-3-pyridinyl)pentan-1-amine
CID 115854971

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(6-methyl-3-pyridinyl)octan-1-amine?
The IUPAC name of N-ethyl-1-(6-methyl-3-pyridinyl)octan-1-amine (CID 115855028) is N-ethyl-1-(6-methyl-3-pyridinyl)octan-1-amine.
What is the SMILES notation for N-ethyl-1-(6-methyl-3-pyridinyl)octan-1-amine?
The canonical SMILES for N-ethyl-1-(6-methyl-3-pyridinyl)octan-1-amine is CCCCCCCC(NCC)c1ccc(C)nc1.
What is the InChIKey of N-ethyl-1-(6-methyl-3-pyridinyl)octan-1-amine?
The InChIKey is OFXUXXDTYQVHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-6-7-8-9-10-16(17-5-2)15-12-11-14(3)18-13-15/h11-13,16-17H,4-10H2,1-3H3.
What are the key properties of N-ethyl-1-(6-methyl-3-pyridinyl)octan-1-amine?
N-ethyl-1-(6-methyl-3-pyridinyl)octan-1-amine has a molecular weight of 248.41 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(6-methyl-3-pyridinyl)octan-1-amine is sourced from PubChem (CID 115855028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).