N-[(6-bromo-2-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-amine

C14H21BrN2 — CID 112582422

IUPACN-[(6-bromo-2-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(NCc2cccc(Br)n2)C1
InChIInChI=1S/C14H21BrN2/c1-10-6-11(2)8-13(7-10)16-9-12-4-3-5-14(15)17-12/h3-5,10-11,13,16H,6-9H2,1-2H3
InChIKeyAGCLKWYKOOYFRN-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.76
Rot. Bonds3

About N-[(6-bromo-2-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-amine

N-[(6-bromo-2-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 112582422) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is N-[(6-bromo-2-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(6-bromo-2-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID112582422
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC NameN-[(6-bromo-2-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(NCc2cccc(Br)n2)C1
InChIInChI=1S/C14H21BrN2/c1-10-6-11(2)8-13(7-10)16-9-12-4-3-5-14(15)17-12/h3-5,10-11,13,16H,6-9H2,1-2H3
InChIKeyAGCLKWYKOOYFRN-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine
CID 106834128
N-[(2,6-difluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64732261
N-[(6-bromo-2-pyridinyl)methyl]-2-methoxycyclopentan-1-amine
CID 112582298
5-[(6-bromo-2-pyridinyl)methylamino]piperidin-2-one
CID 112582371
3-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 62322840
N-[(6-bromo-2-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 115937851
6-[[(3,5-dimethylcyclohexyl)amino]methyl]pyridin-3-ol
CID 79794020
N-[(6-bromo-2-pyridinyl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 112582461
1-[6-(3,5-dimethylcyclohexyl)oxy-2-pyridinyl]-N-methylmethanamine
CID 64730643
3,5-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64724021
1-(1-adamantyl)-N-[(6-bromo-2-pyridinyl)methyl]ethanamine
CID 115937764
N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64724022

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-amine (CID 112582422) is N-[(6-bromo-2-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(6-bromo-2-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(6-bromo-2-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-amine is CC1CC(C)CC(NCc2cccc(Br)n2)C1.
What is the InChIKey of N-[(6-bromo-2-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is AGCLKWYKOOYFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-10-6-11(2)8-13(7-10)16-9-12-4-3-5-14(15)17-12/h3-5,10-11,13,16H,6-9H2,1-2H3.
What are the key properties of N-[(6-bromo-2-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-amine?
N-[(6-bromo-2-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-amine has a molecular weight of 297.24 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 112582422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).