3-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]pyridin-2-amine

C15H23BrN2 — CID 64766889

IUPAC3-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]pyridin-2-amine
SMILESCC1CCC(C(C)(C)c2cccnc2N)C(Br)C1
InChIInChI=1S/C15H23BrN2/c1-10-6-7-11(13(16)9-10)15(2,3)12-5-4-8-18-14(12)17/h4-5,8,10-11,13H,6-7,9H2,1-3H3,(H2,17,18)
InChIKeyNLIIBKWFZQYNSP-UHFFFAOYSA-N
MW311.27 g/mol
LogP4.14
Rot. Bonds2

About 3-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]pyridin-2-amine

3-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]pyridin-2-amine (PubChem CID 64766889) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 3-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]pyridin-2-amine
PubChem CID64766889
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name3-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]pyridin-2-amine
SMILESCC1CCC(C(C)(C)c2cccnc2N)C(Br)C1
InChIInChI=1S/C15H23BrN2/c1-10-6-7-11(13(16)9-10)15(2,3)12-5-4-8-18-14(12)17/h4-5,8,10-11,13H,6-7,9H2,1-3H3,(H2,17,18)
InChIKeyNLIIBKWFZQYNSP-UHFFFAOYSA-N
XLogP4.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]pyridin-2-amine?
The IUPAC name of 3-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]pyridin-2-amine (CID 64766889) is 3-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]pyridin-2-amine is CC1CCC(C(C)(C)c2cccnc2N)C(Br)C1.
What is the InChIKey of 3-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]pyridin-2-amine?
The InChIKey is NLIIBKWFZQYNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-10-6-7-11(13(16)9-10)15(2,3)12-5-4-8-18-14(12)17/h4-5,8,10-11,13H,6-7,9H2,1-3H3,(H2,17,18).
What are the key properties of 3-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]pyridin-2-amine?
3-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]pyridin-2-amine has a molecular weight of 311.27 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]pyridin-2-amine is sourced from PubChem (CID 64766889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).