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

C16H23BrN2 — CID 104813879

IUPACN-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]cyclopropanamine
SMILESBrc1ccc(CC2CCCCC2CNC2CC2)nc1
InChIInChI=1S/C16H23BrN2/c17-14-5-6-16(19-11-14)9-12-3-1-2-4-13(12)10-18-15-7-8-15/h5-6,11-13,15,18H,1-4,7-10H2
InChIKeyRNXZNQMZTGMPND-UHFFFAOYSA-N
MW323.28 g/mol
LogP3.94
Rot. Bonds5

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

N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]cyclopropanamine (PubChem CID 104813879) has the molecular formula C16H23BrN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]cyclopropanamine
PubChem CID104813879
Molecular FormulaC16H23BrN2
Molecular Weight323.28 g/mol
Exact Mass322.10
IUPAC NameN-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]cyclopropanamine
SMILESBrc1ccc(CC2CCCCC2CNC2CC2)nc1
InChIInChI=1S/C16H23BrN2/c17-14-5-6-16(19-11-14)9-12-3-1-2-4-13(12)10-18-15-7-8-15/h5-6,11-13,15,18H,1-4,7-10H2
InChIKeyRNXZNQMZTGMPND-UHFFFAOYSA-N
XLogP3.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 104813876
N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 104813864
[2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methanamine
CID 104813752
[2-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methanamine
CID 104813760
N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]cyclopropanamine
CID 81026278
N-[[2-[(5-bromothiophen-2-yl)methyl]cycloheptyl]methyl]cyclopropanamine
CID 81025222
N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]cyclopropanamine
CID 104796276
5-bromo-2-[(3-bromo-2-methylcyclopentyl)methyl]pyridine
CID 104812252
3-[(5-bromo-2-pyridinyl)methyl]-N-propylcyclopentan-1-amine
CID 104811976
N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]cycloheptyl]methyl]cyclopropanamine
CID 81025022
2-(5-bromo-2-pyridinyl)-1-cyclohexylethanamine
CID 104801170
N-[2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
CID 104811481

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]cyclopropanamine (CID 104813879) is N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]cyclopropanamine is Brc1ccc(CC2CCCCC2CNC2CC2)nc1.
What is the InChIKey of N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]cyclopropanamine?
The InChIKey is RNXZNQMZTGMPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2/c17-14-5-6-16(19-11-14)9-12-3-1-2-4-13(12)10-18-15-7-8-15/h5-6,11-13,15,18H,1-4,7-10H2.
What are the key properties of N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]cyclopropanamine?
N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]cyclopropanamine has a molecular weight of 323.28 g/mol, XLogP of 3.94, 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]cyclopropanamine is sourced from PubChem (CID 104813879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).