2-cycloheptyl-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine

C17H28N2 — CID 115854866

IUPAC2-cycloheptyl-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
SMILESCCNC(CC1CCCCCC1)c1ccc(C)nc1
InChIInChI=1S/C17H28N2/c1-3-18-17(16-11-10-14(2)19-13-16)12-15-8-6-4-5-7-9-15/h10-11,13,15,17-18H,3-9,12H2,1-2H3
InChIKeyIUBTZFVVQJGROA-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.40
Rot. Bonds5

About 2-cycloheptyl-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine

2-cycloheptyl-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine (PubChem CID 115854866) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-cycloheptyl-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-cycloheptyl-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
PubChem CID115854866
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-cycloheptyl-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
SMILESCCNC(CC1CCCCCC1)c1ccc(C)nc1
InChIInChI=1S/C17H28N2/c1-3-18-17(16-11-10-14(2)19-13-16)12-15-8-6-4-5-7-9-15/h10-11,13,15,17-18H,3-9,12H2,1-2H3
InChIKeyIUBTZFVVQJGROA-UHFFFAOYSA-N
XLogP4.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755115
ethane;(1S)-N-ethyl-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 143971638
2-cyclopentyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 115854888
2-cyclohexyl-1-(3,4-diethylphenyl)-N-ethylethanamine
CID 115482308
N-ethyl-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-amine
CID 63156106
N-ethyl-1-(6-methyl-3-pyridinyl)-2-propan-2-yloxyethanamine
CID 105146359
1-(4-butan-2-ylphenyl)-2-cyclobutyl-N-ethylethanamine
CID 103162893
N-[(4-tert-butylcyclohexyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 65415133
1-(4-chloro-3-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 107992592
N-ethyl-1-(6-methyl-3-pyridinyl)undecan-1-amine
CID 105138195
N-ethyl-1-(6-methyl-3-pyridinyl)octan-1-amine
CID 115855028
2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 65458581

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-cycloheptyl-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine (CID 115854866) is 2-cycloheptyl-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-cycloheptyl-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-cycloheptyl-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine is CCNC(CC1CCCCCC1)c1ccc(C)nc1.
What is the InChIKey of 2-cycloheptyl-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine?
The InChIKey is IUBTZFVVQJGROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-18-17(16-11-10-14(2)19-13-16)12-15-8-6-4-5-7-9-15/h10-11,13,15,17-18H,3-9,12H2,1-2H3.
What are the key properties of 2-cycloheptyl-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine?
2-cycloheptyl-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine has a molecular weight of 260.43 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 115854866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).