N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]propan-2-amine

C16H25BrN2 — CID 104813876

IUPACN-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCC1Cc1ccc(Br)cn1
InChIInChI=1S/C16H25BrN2/c1-12(2)18-10-14-6-4-3-5-13(14)9-16-8-7-15(17)11-19-16/h7-8,11-14,18H,3-6,9-10H2,1-2H3
InChIKeyFAPXNWKCTHEBDJ-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.19
Rot. Bonds5

About N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]propan-2-amine

N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]propan-2-amine (PubChem CID 104813876) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]propan-2-amine
PubChem CID104813876
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC NameN-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCC1Cc1ccc(Br)cn1
InChIInChI=1S/C16H25BrN2/c1-12(2)18-10-14-6-4-3-5-13(14)9-16-8-7-15(17)11-19-16/h7-8,11-14,18H,3-6,9-10H2,1-2H3
InChIKeyFAPXNWKCTHEBDJ-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]propan-2-amine (CID 104813876) is N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]propan-2-amine is CC(C)NCC1CCCCC1Cc1ccc(Br)cn1.
What is the InChIKey of N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]propan-2-amine?
The InChIKey is FAPXNWKCTHEBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-12(2)18-10-14-6-4-3-5-13(14)9-16-8-7-15(17)11-19-16/h7-8,11-14,18H,3-6,9-10H2,1-2H3.
What are the key properties of N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]propan-2-amine?
N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]propan-2-amine has a molecular weight of 325.29 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 104813876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).