N-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine

C14H20Br2N2 — CID 113393642

IUPACN-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(NCc2ncc(Br)cc2Br)C1C
InChIInChI=1S/C14H20Br2N2/c1-9-4-3-5-13(10(9)2)18-8-14-12(16)6-11(15)7-17-14/h6-7,9-10,13,18H,3-5,8H2,1-2H3
InChIKeyPSHNVCLQSKNBOT-UHFFFAOYSA-N
MW376.14 g/mol
LogP4.52
Rot. Bonds3

About N-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine

N-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine (PubChem CID 113393642) has the molecular formula C14H20Br2N2 and a molecular weight of 376.14 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine
PubChem CID113393642
Molecular FormulaC14H20Br2N2
Molecular Weight376.14 g/mol
Exact Mass374.00
IUPAC NameN-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(NCc2ncc(Br)cc2Br)C1C
InChIInChI=1S/C14H20Br2N2/c1-9-4-3-5-13(10(9)2)18-8-14-12(16)6-11(15)7-17-14/h6-7,9-10,13,18H,3-5,8H2,1-2H3
InChIKeyPSHNVCLQSKNBOT-UHFFFAOYSA-N
XLogP4.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.14
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine 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-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 43220867
2-[[(3,5-dibromo-2-pyridinyl)methylamino]methyl]cyclopentan-1-ol
CID 113393731
N-[(3,5-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 60788665
N-[(3,4-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 43081867
N-[(3,5-dibromo-2-pyridinyl)methyl]-1,1-dioxothiolan-3-amine
CID 113393623
2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 43663217
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 43088207
N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 64763111
(1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 11923056
(1S,2R,3R)-N-(1,3-benzodioxol-5-ylmethyl)-2,3-dimethylcyclohexan-1-amine
CID 11882183
(1R,2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 11920641
4-[[(2,3-dimethylcyclohexyl)amino]methyl]benzene-1,2-diol
CID 43179140

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine (CID 113393642) is N-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine is CC1CCCC(NCc2ncc(Br)cc2Br)C1C.
What is the InChIKey of N-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine?
The InChIKey is PSHNVCLQSKNBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2/c1-9-4-3-5-13(10(9)2)18-8-14-12(16)6-11(15)7-17-14/h6-7,9-10,13,18H,3-5,8H2,1-2H3.
What are the key properties of N-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine?
N-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine has a molecular weight of 376.14 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 113393642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).