N-(5-bromopentyl)-3,5-dichloro-N-methylpyridin-2-amine

C11H15BrCl2N2 — CID 107205213

IUPACN-(5-bromopentyl)-3,5-dichloro-N-methylpyridin-2-amine
SMILESCN(CCCCCBr)c1ncc(Cl)cc1Cl
InChIInChI=1S/C11H15BrCl2N2/c1-16(6-4-2-3-5-12)11-10(14)7-9(13)8-15-11/h7-8H,2-6H2,1H3
InChIKeyIDAOYPZAEGJFDK-UHFFFAOYSA-N
MW326.07 g/mol
LogP4.39
Rot. Bonds6

About N-(5-bromopentyl)-3,5-dichloro-N-methylpyridin-2-amine

N-(5-bromopentyl)-3,5-dichloro-N-methylpyridin-2-amine (PubChem CID 107205213) has the molecular formula C11H15BrCl2N2 and a molecular weight of 326.07 g/mol. Its IUPAC name is N-(5-bromopentyl)-3,5-dichloro-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(5-bromopentyl)-3,5-dichloro-N-methylpyridin-2-amine
PubChem CID107205213
Molecular FormulaC11H15BrCl2N2
Molecular Weight326.07 g/mol
Exact Mass323.98
IUPAC NameN-(5-bromopentyl)-3,5-dichloro-N-methylpyridin-2-amine
SMILESCN(CCCCCBr)c1ncc(Cl)cc1Cl
InChIInChI=1S/C11H15BrCl2N2/c1-16(6-4-2-3-5-12)11-10(14)7-9(13)8-15-11/h7-8H,2-6H2,1H3
InChIKeyIDAOYPZAEGJFDK-UHFFFAOYSA-N
XLogP4.39
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.07
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromopropyl)-3,5-dichloro-N-methylpyridin-2-amine
CID 80671164
N-[(4-aminophenyl)methyl]-3,5-dichloro-N-methylpyridin-2-amine
CID 60875712
N-butyl-3-chloro-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62285991
N-(5-bromopentyl)-N,5-dimethylpyrimidin-2-amine
CID 107205149
N'-(5-chloropyrimidin-4-yl)-N'-methylpentane-1,5-diamine
CID 107207100
3-bromo-5-chloro-N-(3-chlorobutyl)-N-methylpyridin-2-amine
CID 114838625
3-chloro-N-(5-chloropentyl)-N-methylpyridin-2-amine
CID 107205302
N'-[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63701057
N-butyl-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62285650
3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]propanethioamide
CID 103582230
N-(5-bromopentyl)-2,4-dichloro-N-methylbenzamide
CID 107206177
3-[(5-chloro-3-iodo-2-pyridinyl)-methylamino]propanamide
CID 167869870

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-3,5-dichloro-N-methylpyridin-2-amine?
The IUPAC name of N-(5-bromopentyl)-3,5-dichloro-N-methylpyridin-2-amine (CID 107205213) is N-(5-bromopentyl)-3,5-dichloro-N-methylpyridin-2-amine.
What is the SMILES notation for N-(5-bromopentyl)-3,5-dichloro-N-methylpyridin-2-amine?
The canonical SMILES for N-(5-bromopentyl)-3,5-dichloro-N-methylpyridin-2-amine is CN(CCCCCBr)c1ncc(Cl)cc1Cl.
What is the InChIKey of N-(5-bromopentyl)-3,5-dichloro-N-methylpyridin-2-amine?
The InChIKey is IDAOYPZAEGJFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrCl2N2/c1-16(6-4-2-3-5-12)11-10(14)7-9(13)8-15-11/h7-8H,2-6H2,1H3.
What are the key properties of N-(5-bromopentyl)-3,5-dichloro-N-methylpyridin-2-amine?
N-(5-bromopentyl)-3,5-dichloro-N-methylpyridin-2-amine has a molecular weight of 326.07 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-3,5-dichloro-N-methylpyridin-2-amine is sourced from PubChem (CID 107205213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).