1-(2-bromocyclopentyl)oxy-N-methylmethanamine

C7H14BrNO — CID 171766461

IUPAC1-(2-bromocyclopentyl)oxy-N-methylmethanamine
SMILESCNCOC1CCCC1Br
InChIInChI=1S/C7H14BrNO/c1-9-5-10-7-4-2-3-6(7)8/h6-7,9H,2-5H2,1H3
InChIKeyPTXFAONXUDRVBA-UHFFFAOYSA-N
MW208.10 g/mol
LogP1.50
Rot. Bonds3

About 1-(2-bromocyclopentyl)oxy-N-methylmethanamine

1-(2-bromocyclopentyl)oxy-N-methylmethanamine (PubChem CID 171766461) has the molecular formula C7H14BrNO and a molecular weight of 208.10 g/mol. Its IUPAC name is 1-(2-bromocyclopentyl)oxy-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromocyclopentyl)oxy-N-methylmethanamine
PubChem CID171766461
Molecular FormulaC7H14BrNO
Molecular Weight208.10 g/mol
Exact Mass207.03
IUPAC Name1-(2-bromocyclopentyl)oxy-N-methylmethanamine
SMILESCNCOC1CCCC1Br
InChIInChI=1S/C7H14BrNO/c1-9-5-10-7-4-2-3-6(7)8/h6-7,9H,2-5H2,1H3
InChIKeyPTXFAONXUDRVBA-UHFFFAOYSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2-(4-methylpentoxy)cyclopentane
CID 62109918
1-bromo-2-(2-methylpropoxy)cyclohexane
CID 62111426
(2-bromocyclopentyl)oxymethylcyclohexane
CID 62384212
1-bromo-2-(2-methoxy-3-methylbutoxy)cyclopentane
CID 165487792
1-bromo-2-(3-methylbutoxy)cyclooctane
CID 114772941
1-bromo-2-(3,3-dimethylbutoxy)cycloheptane
CID 66227351
1-bromo-2-(2-propan-2-yloxyethoxy)cyclohexane
CID 62109249
1-bromo-2-(2,2,2-trifluoroethoxy)cyclohexane
CID 62110594
1-bromo-2-pentan-3-yloxycyclopentane
CID 165489513
[(1S,2S)-2-bromocyclopentyl]oxy-trimethylsilane
CID 11746651
1-bromo-2-(2-propoxyethoxy)cyclooctane
CID 114774148
1-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cycloheptane
CID 104565568

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromocyclopentyl)oxy-N-methylmethanamine?
The IUPAC name of 1-(2-bromocyclopentyl)oxy-N-methylmethanamine (CID 171766461) is 1-(2-bromocyclopentyl)oxy-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromocyclopentyl)oxy-N-methylmethanamine?
The canonical SMILES for 1-(2-bromocyclopentyl)oxy-N-methylmethanamine is CNCOC1CCCC1Br.
What is the InChIKey of 1-(2-bromocyclopentyl)oxy-N-methylmethanamine?
The InChIKey is PTXFAONXUDRVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO/c1-9-5-10-7-4-2-3-6(7)8/h6-7,9H,2-5H2,1H3.
What are the key properties of 1-(2-bromocyclopentyl)oxy-N-methylmethanamine?
1-(2-bromocyclopentyl)oxy-N-methylmethanamine has a molecular weight of 208.10 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromocyclopentyl)oxy-N-methylmethanamine is sourced from PubChem (CID 171766461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).