N-[[1-[(5-bromo-3-pyridinyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine

C15H23BrN2 — CID 104810728

IUPACN-[[1-[(5-bromo-3-pyridinyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2cncc(Br)c2)CCC1
InChIInChI=1S/C15H23BrN2/c1-14(2,3)18-11-15(5-4-6-15)8-12-7-13(16)10-17-9-12/h7,9-10,18H,4-6,8,11H2,1-3H3
InChIKeyCLOTXAJINUENCY-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.94
Rot. Bonds4

About N-[[1-[(5-bromo-3-pyridinyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine

N-[[1-[(5-bromo-3-pyridinyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine (PubChem CID 104810728) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is N-[[1-[(5-bromo-3-pyridinyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(5-bromo-3-pyridinyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
PubChem CID104810728
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC NameN-[[1-[(5-bromo-3-pyridinyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2cncc(Br)c2)CCC1
InChIInChI=1S/C15H23BrN2/c1-14(2,3)18-11-15(5-4-6-15)8-12-7-13(16)10-17-9-12/h7,9-10,18H,4-6,8,11H2,1-3H3
InChIKeyCLOTXAJINUENCY-UHFFFAOYSA-N
XLogP3.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(5-bromo-3-pyridinyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine
CID 104810907
N-[[1-[(3-bromophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63507661
1-[1-[(5-bromo-3-pyridinyl)methyl]-4-tert-butylcyclohexyl]-N-methylmethanamine
CID 104810634
N-[(1-benzylcyclobutyl)methyl]-2-methylpropan-2-amine
CID 65194402
N-[[1-[(3,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
CID 66023597
N-[[1-[(4-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 63508363
N-[[1-[(3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65194679
[1-[(5-bromo-3-pyridinyl)methyl]-4-butylcyclohexyl]methanol
CID 104813121
1-[(5-bromo-3-pyridinyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 104802710
N-[2-[1-[(5-bromo-3-pyridinyl)oxy]cyclobutyl]ethyl]-2-methylpropan-2-amine
CID 103274125
1-[(5-bromo-3-pyridinyl)methyl]-4,4-dimethylcycloheptan-1-ol
CID 113454948
1-[1-[(5-bromo-3-pyridinyl)methyl]cyclopropyl]-N-methylethanamine
CID 106797713

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-bromo-3-pyridinyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(5-bromo-3-pyridinyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine (CID 104810728) is N-[[1-[(5-bromo-3-pyridinyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(5-bromo-3-pyridinyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(5-bromo-3-pyridinyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(Cc2cncc(Br)c2)CCC1.
What is the InChIKey of N-[[1-[(5-bromo-3-pyridinyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine?
The InChIKey is CLOTXAJINUENCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-14(2,3)18-11-15(5-4-6-15)8-12-7-13(16)10-17-9-12/h7,9-10,18H,4-6,8,11H2,1-3H3.
What are the key properties of N-[[1-[(5-bromo-3-pyridinyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine?
N-[[1-[(5-bromo-3-pyridinyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine has a molecular weight of 311.27 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-bromo-3-pyridinyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 104810728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).