N-[(3-bromo-2-pyridinyl)-(cyclohexen-1-yl)methyl]ethanamine

C14H19BrN2 — CID 106654365

IUPACN-[(3-bromo-2-pyridinyl)-(cyclohexen-1-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)c1ncccc1Br
InChIInChI=1S/C14H19BrN2/c1-2-16-13(11-7-4-3-5-8-11)14-12(15)9-6-10-17-14/h6-7,9-10,13,16H,2-5,8H2,1H3
InChIKeyKINOTHUFFXKKRT-UHFFFAOYSA-N
MW295.22 g/mol
LogP4.00
Rot. Bonds4

About N-[(3-bromo-2-pyridinyl)-(cyclohexen-1-yl)methyl]ethanamine

N-[(3-bromo-2-pyridinyl)-(cyclohexen-1-yl)methyl]ethanamine (PubChem CID 106654365) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is N-[(3-bromo-2-pyridinyl)-(cyclohexen-1-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-2-pyridinyl)-(cyclohexen-1-yl)methyl]ethanamine
PubChem CID106654365
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC NameN-[(3-bromo-2-pyridinyl)-(cyclohexen-1-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)c1ncccc1Br
InChIInChI=1S/C14H19BrN2/c1-2-16-13(11-7-4-3-5-8-11)14-12(15)9-6-10-17-14/h6-7,9-10,13,16H,2-5,8H2,1H3
InChIKeyKINOTHUFFXKKRT-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 54.00
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-[[(1E)-cycloocten-1-yl]-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 106652706
N-[cyclohexen-1-yl-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 106657373
N-[(3-chloro-2-pyridinyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106654838
N-[(2-bromo-6-fluorophenyl)-(cyclohepten-1-yl)methyl]ethanamine
CID 114559017
N-[(4-bromo-3-methylphenyl)-(cyclohexen-1-yl)methyl]ethanamine
CID 113396706
N-[(3-bromo-4-methylphenyl)-(cyclohexen-1-yl)methyl]ethanamine
CID 81471701
N-[cyclohexen-1-yl-(2-methylphenyl)methyl]ethanamine
CID 55034558
N-[(5-bromothiophen-3-yl)-(cyclohepten-1-yl)methyl]ethanamine
CID 106657198
N-[(2-bromo-3-fluorophenyl)-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106656684
2-(2-bromophenyl)sulfanyl-1-(cyclohexen-1-yl)-N-ethylethanamine
CID 106653493
N-[cyclopenten-1-yl(phenyl)methyl]ethanamine
CID 62077860
N-[(4-bromo-3,5-dimethylphenyl)-(cyclohepten-1-yl)methyl]ethanamine
CID 106654741

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-pyridinyl)-(cyclohexen-1-yl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-2-pyridinyl)-(cyclohexen-1-yl)methyl]ethanamine (CID 106654365) is N-[(3-bromo-2-pyridinyl)-(cyclohexen-1-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-2-pyridinyl)-(cyclohexen-1-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-2-pyridinyl)-(cyclohexen-1-yl)methyl]ethanamine is CCNC(C1=CCCCC1)c1ncccc1Br.
What is the InChIKey of N-[(3-bromo-2-pyridinyl)-(cyclohexen-1-yl)methyl]ethanamine?
The InChIKey is KINOTHUFFXKKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2/c1-2-16-13(11-7-4-3-5-8-11)14-12(15)9-6-10-17-14/h6-7,9-10,13,16H,2-5,8H2,1H3.
What are the key properties of N-[(3-bromo-2-pyridinyl)-(cyclohexen-1-yl)methyl]ethanamine?
N-[(3-bromo-2-pyridinyl)-(cyclohexen-1-yl)methyl]ethanamine has a molecular weight of 295.22 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-pyridinyl)-(cyclohexen-1-yl)methyl]ethanamine is sourced from PubChem (CID 106654365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).