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

C14H21BrN2 — CID 115641197

IUPACN-[(5-bromo-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCC1CCCCC1N(C)Cc1ccc(Br)cn1
InChIInChI=1S/C14H21BrN2/c1-11-5-3-4-6-14(11)17(2)10-13-8-7-12(15)9-16-13/h7-9,11,14H,3-6,10H2,1-2H3
InChIKeyLIKZJBBAJXZHPU-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.85
Rot. Bonds3

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

N-[(5-bromo-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine (PubChem CID 115641197) 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,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine
PubChem CID115641197
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC NameN-[(5-bromo-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCC1CCCCC1N(C)Cc1ccc(Br)cn1
InChIInChI=1S/C14H21BrN2/c1-11-5-3-4-6-14(11)17(2)10-13-8-7-12(15)9-16-13/h7-9,11,14H,3-6,10H2,1-2H3
InChIKeyLIKZJBBAJXZHPU-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

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Related Compounds

N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 115622551
5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyrazin-2-amine
CID 103056084
N-[(6-chloro-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 79046170
N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 55218464
trans-(1S,2S)-1-N,2-N-dimethyl-1-N,2-N-bis[[5-tri(propan-2-yl)silyl-2-pyridinyl]methyl]cyclohexane-1,2-diamine
CID 164672685
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 55192223
1-[[(5-bromo-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416318
N-[(5-bromo-2-pyridinyl)methyl]-N-(2-methylpropyl)cyclopropanamine
CID 115622615
N-[(4-hydrazinyl-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 79259734
2-(5-bromo-2-pyridinyl)-1-(2-methylcyclopentyl)ethanamine
CID 107190834
N'-[(5-bromo-2-pyridinyl)methyl]-N'-cyclopentylethane-1,2-diamine
CID 104798115
cis-(1R,2S)-N,2-dimethyl-N-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine
CID 59989994

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine (CID 115641197) is N-[(5-bromo-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(5-bromo-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine is CC1CCCCC1N(C)Cc1ccc(Br)cn1.
What is the InChIKey of N-[(5-bromo-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine?
The InChIKey is LIKZJBBAJXZHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-11-5-3-4-6-14(11)17(2)10-13-8-7-12(15)9-16-13/h7-9,11,14H,3-6,10H2,1-2H3.
What are the key properties of N-[(5-bromo-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine?
N-[(5-bromo-2-pyridinyl)methyl]-N,2-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,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 115641197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).