N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylcyclohexan-1-amine

C14H21BrN2 — CID 115622551

IUPACN-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N(C)Cc2ccc(Br)cn2)CC1
InChIInChI=1S/C14H21BrN2/c1-11-3-7-14(8-4-11)17(2)10-13-6-5-12(15)9-16-13/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3
InChIKeyFASBMUQENMROPR-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.85
Rot. Bonds3

About N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylcyclohexan-1-amine

N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylcyclohexan-1-amine (PubChem CID 115622551) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylcyclohexan-1-amine
PubChem CID115622551
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC NameN-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N(C)Cc2ccc(Br)cn2)CC1
InChIInChI=1S/C14H21BrN2/c1-11-3-7-14(8-4-11)17(2)10-13-6-5-12(15)9-16-13/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3
InChIKeyFASBMUQENMROPR-UHFFFAOYSA-N
XLogP3.85
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromo-2-pyridinyl)methyl]-N,4-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-[(5-bromo-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 115641197
N-[(5-bromo-2-pyridinyl)methyl]-N-(2-methylpropyl)cyclopropanamine
CID 115622615
N-[(5-bromo-2-pyridinyl)methyl]-N-propylpiperidin-4-amine
CID 115741636
1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol
CID 104801440
N'-[(5-bromo-2-pyridinyl)methyl]-N'-cyclopentylethane-1,2-diamine
CID 104798115
N-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine
CID 115622395
2-[(5-bromo-2-pyridinyl)methyl-cyclohexylamino]ethanol
CID 113239605
N-[(5-bromo-2-pyridinyl)methyl]-N-(cyclopropylmethyl)propan-2-amine
CID 115641200
2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetic acid
CID 113394093
5-bromo-2-[(2,5-dimethylpiperidin-1-yl)methyl]pyridine
CID 115666639
2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetamide
CID 113234633
6-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]pyridin-3-ol
CID 82983854

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylcyclohexan-1-amine (CID 115622551) is N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylcyclohexan-1-amine is CC1CCC(N(C)Cc2ccc(Br)cn2)CC1.
What is the InChIKey of N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is FASBMUQENMROPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-11-3-7-14(8-4-11)17(2)10-13-6-5-12(15)9-16-13/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylcyclohexan-1-amine?
N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylcyclohexan-1-amine has a molecular weight of 297.24 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 115622551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).