N-(2-bromoethyl)-N-cyclobutyl-3-propan-2-yloxypyridin-2-amine

C14H21BrN2O — CID 102871649

IUPACN-(2-bromoethyl)-N-cyclobutyl-3-propan-2-yloxypyridin-2-amine
SMILESCC(C)Oc1cccnc1N(CCBr)C1CCC1
InChIInChI=1S/C14H21BrN2O/c1-11(2)18-13-7-4-9-16-14(13)17(10-8-15)12-5-3-6-12/h4,7,9,11-12H,3,5-6,8,10H2,1-2H3
InChIKeyXNHSGSRYYWZBBB-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.62
Rot. Bonds6

About N-(2-bromoethyl)-N-cyclobutyl-3-propan-2-yloxypyridin-2-amine

N-(2-bromoethyl)-N-cyclobutyl-3-propan-2-yloxypyridin-2-amine (PubChem CID 102871649) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclobutyl-3-propan-2-yloxypyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclobutyl-3-propan-2-yloxypyridin-2-amine
PubChem CID102871649
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-(2-bromoethyl)-N-cyclobutyl-3-propan-2-yloxypyridin-2-amine
SMILESCC(C)Oc1cccnc1N(CCBr)C1CCC1
InChIInChI=1S/C14H21BrN2O/c1-11(2)18-13-7-4-9-16-14(13)17(10-8-15)12-5-3-6-12/h4,7,9,11-12H,3,5-6,8,10H2,1-2H3
InChIKeyXNHSGSRYYWZBBB-UHFFFAOYSA-N
XLogP3.62
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-2-amine
CID 80668380
N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridin-2-amine
CID 80669537
N-(2-bromoethyl)-N-cyclobutyl-5-methoxyisoquinolin-1-amine
CID 106543272
2-[cyclobutyl-(3-methoxy-2-pyridinyl)amino]ethanol
CID 102869021
N-(2-bromoethyl)-N-cyclopentylpyridin-2-amine
CID 80669086
N-butyl-3-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620278
3-[2-bromoethyl(cyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 80668768
1-[2-[cyclobutyl(2-hydroxyethyl)amino]-3-pyridinyl]ethanol
CID 114056274
N-(2-methylcyclopentyl)-3-propan-2-yloxypyridin-2-amine
CID 112568510
2-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-propan-2-yloxypyridine
CID 113371357
N-(2-bromoethyl)-N-cyclobutyl-5-fluoropyridin-2-amine
CID 102871601
ethane;2-methyl-3-propan-2-yloxypyridine
CID 169127278

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclobutyl-3-propan-2-yloxypyridin-2-amine?
The IUPAC name of N-(2-bromoethyl)-N-cyclobutyl-3-propan-2-yloxypyridin-2-amine (CID 102871649) is N-(2-bromoethyl)-N-cyclobutyl-3-propan-2-yloxypyridin-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclobutyl-3-propan-2-yloxypyridin-2-amine?
The canonical SMILES for N-(2-bromoethyl)-N-cyclobutyl-3-propan-2-yloxypyridin-2-amine is CC(C)Oc1cccnc1N(CCBr)C1CCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclobutyl-3-propan-2-yloxypyridin-2-amine?
The InChIKey is XNHSGSRYYWZBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-11(2)18-13-7-4-9-16-14(13)17(10-8-15)12-5-3-6-12/h4,7,9,11-12H,3,5-6,8,10H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-cyclobutyl-3-propan-2-yloxypyridin-2-amine?
N-(2-bromoethyl)-N-cyclobutyl-3-propan-2-yloxypyridin-2-amine has a molecular weight of 313.24 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclobutyl-3-propan-2-yloxypyridin-2-amine is sourced from PubChem (CID 102871649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).