1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine

C12H17BrN2 — CID 104802724

IUPAC1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine
SMILESNC1(Cc2ccc(Br)cn2)CCCCC1
InChIInChI=1S/C12H17BrN2/c13-10-4-5-11(15-9-10)8-12(14)6-2-1-3-7-12/h4-5,9H,1-3,6-8,14H2
InChIKeyQNHAMOINMWMQRI-UHFFFAOYSA-N
MW269.19 g/mol
LogP3.05
Rot. Bonds2

About 1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine

1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine (PubChem CID 104802724) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine
PubChem CID104802724
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine
SMILESNC1(Cc2ccc(Br)cn2)CCCCC1
InChIInChI=1S/C12H17BrN2/c13-10-4-5-11(15-9-10)8-12(14)6-2-1-3-7-12/h4-5,9H,1-3,6-8,14H2
InChIKeyQNHAMOINMWMQRI-UHFFFAOYSA-N
XLogP3.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine (CID 104802724) is 1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine is NC1(Cc2ccc(Br)cn2)CCCCC1.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine?
The InChIKey is QNHAMOINMWMQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c13-10-4-5-11(15-9-10)8-12(14)6-2-1-3-7-12/h4-5,9H,1-3,6-8,14H2.
What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine?
1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine has a molecular weight of 269.19 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 104802724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).