N-[[(1E)-cycloocten-1-yl]-(3-methyl-2-pyridinyl)methyl]ethanamine

C17H26N2 — CID 106652706

IUPACN-[[(1E)-cycloocten-1-yl]-(3-methyl-2-pyridinyl)methyl]ethanamine
SMILESCCNC(/C1=C/CCCCCC1)c1ncccc1C
InChIInChI=1S/C17H26N2/c1-3-18-17(16-14(2)10-9-13-19-16)15-11-7-5-4-6-8-12-15/h9-11,13,17-18H,3-8,12H2,1-2H3/b15-11+
InChIKeyYUHPPKKHVAKOIO-RVDMUPIBSA-N
MW258.41 g/mol
LogP4.32
Rot. Bonds4

About N-[[(1E)-cycloocten-1-yl]-(3-methyl-2-pyridinyl)methyl]ethanamine

N-[[(1E)-cycloocten-1-yl]-(3-methyl-2-pyridinyl)methyl]ethanamine (PubChem CID 106652706) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[[(1E)-cycloocten-1-yl]-(3-methyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[(1E)-cycloocten-1-yl]-(3-methyl-2-pyridinyl)methyl]ethanamine
PubChem CID106652706
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-[[(1E)-cycloocten-1-yl]-(3-methyl-2-pyridinyl)methyl]ethanamine
SMILESCCNC(/C1=C/CCCCCC1)c1ncccc1C
InChIInChI=1S/C17H26N2/c1-3-18-17(16-14(2)10-9-13-19-16)15-11-7-5-4-6-8-12-15/h9-11,13,17-18H,3-8,12H2,1-2H3/b15-11+
InChIKeyYUHPPKKHVAKOIO-RVDMUPIBSA-N
XLogP4.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromo-2-pyridinyl)-(cyclohexen-1-yl)methyl]ethanamine
CID 106654365
N-[cyclohexen-1-yl-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 106657373
N-[cyclohexen-1-yl-(2-methylphenyl)methyl]ethanamine
CID 55034558
N-[(3-chloro-2-pyridinyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106654838
N-[cycloocten-1-yl-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 106656476
N-[cyclohexen-1-yl-(3-methylfuran-2-yl)methyl]ethanamine
CID 62078327
N-[(4-bromo-3,5-dimethylphenyl)-(cyclohepten-1-yl)methyl]ethanamine
CID 106654741
N-[(5-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106656484
N-[(5-chloro-2-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106656210
N-[3,4-dihydro-2H-pyran-5-yl-(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 113370548
N-[[(1E)-cycloocten-1-yl]-(4-fluorophenyl)methyl]ethanamine
CID 106652433
[(3-chloro-2-pyridinyl)-(cyclohepten-1-yl)methyl]hydrazine
CID 106649721

Frequently Asked Questions

What is the IUPAC name of N-[[(1E)-cycloocten-1-yl]-(3-methyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[[(1E)-cycloocten-1-yl]-(3-methyl-2-pyridinyl)methyl]ethanamine (CID 106652706) is N-[[(1E)-cycloocten-1-yl]-(3-methyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[[(1E)-cycloocten-1-yl]-(3-methyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[[(1E)-cycloocten-1-yl]-(3-methyl-2-pyridinyl)methyl]ethanamine is CCNC(/C1=C/CCCCCC1)c1ncccc1C.
What is the InChIKey of N-[[(1E)-cycloocten-1-yl]-(3-methyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is YUHPPKKHVAKOIO-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H26N2/c1-3-18-17(16-14(2)10-9-13-19-16)15-11-7-5-4-6-8-12-15/h9-11,13,17-18H,3-8,12H2,1-2H3/b15-11+.
What are the key properties of N-[[(1E)-cycloocten-1-yl]-(3-methyl-2-pyridinyl)methyl]ethanamine?
N-[[(1E)-cycloocten-1-yl]-(3-methyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 258.41 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1E)-cycloocten-1-yl]-(3-methyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 106652706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).