5-(bromomethyl)-N-cyclohexylpyridin-2-amine

C12H17BrN2 — CID 139898305

IUPAC5-(bromomethyl)-N-cyclohexylpyridin-2-amine
SMILESBrCc1ccc(NC2CCCCC2)nc1
InChIInChI=1S/C12H17BrN2/c13-8-10-6-7-12(14-9-10)15-11-4-2-1-3-5-11/h6-7,9,11H,1-5,8H2,(H,14,15)
InChIKeySFTWCBAEHYTHMQ-UHFFFAOYSA-N
MW269.19 g/mol
LogP3.72
Rot. Bonds3

About 5-(bromomethyl)-N-cyclohexylpyridin-2-amine

5-(bromomethyl)-N-cyclohexylpyridin-2-amine (PubChem CID 139898305) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 5-(bromomethyl)-N-cyclohexylpyridin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-cyclohexylpyridin-2-amine
PubChem CID139898305
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name5-(bromomethyl)-N-cyclohexylpyridin-2-amine
SMILESBrCc1ccc(NC2CCCCC2)nc1
InChIInChI=1S/C12H17BrN2/c13-8-10-6-7-12(14-9-10)15-11-4-2-1-3-5-11/h6-7,9,11H,1-5,8H2,(H,14,15)
InChIKeySFTWCBAEHYTHMQ-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tripelennamine
CID 5587
2-Amino-5-methylpyridine
CID 15348
2-(Benzylamino)pyridine
CID 23362
N-2-Pyridylaniline
CID 81130
WZ 811
CID 11565518
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
5-Phenyl-2-pyridinamine
CID 105097
Urea, 1-cyclohexyl-3-(2-pyridyl)-2-thio-
CID 721803
Pyridine, 2-benzylamino-, hydrochloride
CID 2830234
1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 2777786
1-(3-Methyl-pyridin-2-YL)-3-phenyl-urea
CID 790718
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-cyclohexylpyridin-2-amine?
The IUPAC name of 5-(bromomethyl)-N-cyclohexylpyridin-2-amine (CID 139898305) is 5-(bromomethyl)-N-cyclohexylpyridin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N-cyclohexylpyridin-2-amine?
The canonical SMILES for 5-(bromomethyl)-N-cyclohexylpyridin-2-amine is BrCc1ccc(NC2CCCCC2)nc1.
What is the InChIKey of 5-(bromomethyl)-N-cyclohexylpyridin-2-amine?
The InChIKey is SFTWCBAEHYTHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c13-8-10-6-7-12(14-9-10)15-11-4-2-1-3-5-11/h6-7,9,11H,1-5,8H2,(H,14,15).
What are the key properties of 5-(bromomethyl)-N-cyclohexylpyridin-2-amine?
5-(bromomethyl)-N-cyclohexylpyridin-2-amine has a molecular weight of 269.19 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-cyclohexylpyridin-2-amine is sourced from PubChem (CID 139898305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).