N-[[1-(bromomethyl)cyclobutyl]methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine

C13H26BrNO2 — CID 65009370

IUPACN-[[1-(bromomethyl)cyclobutyl]methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
SMILESCOCCN(CC1(CBr)CCC1)C(C)COC
InChIInChI=1S/C13H26BrNO2/c1-12(9-17-3)15(7-8-16-2)11-13(10-14)5-4-6-13/h12H,4-11H2,1-3H3
InChIKeyRSAIDPBUSDNXMT-UHFFFAOYSA-N
MW308.26 g/mol
LogP2.53
Rot. Bonds9

About N-[[1-(bromomethyl)cyclobutyl]methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine

N-[[1-(bromomethyl)cyclobutyl]methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine (PubChem CID 65009370) has the molecular formula C13H26BrNO2 and a molecular weight of 308.26 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclobutyl]methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclobutyl]methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
PubChem CID65009370
Molecular FormulaC13H26BrNO2
Molecular Weight308.26 g/mol
Exact Mass307.11
IUPAC NameN-[[1-(bromomethyl)cyclobutyl]methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
SMILESCOCCN(CC1(CBr)CCC1)C(C)COC
InChIInChI=1S/C13H26BrNO2/c1-12(9-17-3)15(7-8-16-2)11-13(10-14)5-4-6-13/h12H,4-11H2,1-3H3
InChIKeyRSAIDPBUSDNXMT-UHFFFAOYSA-N
XLogP2.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 52.53
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-[[1-(aminomethyl)cyclohexyl]methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 55056543
N-[[1-(bromomethyl)cyclobutyl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 65009847
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 65010232
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 81171018
2-[1-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopropyl]ethanethioamide
CID 65498299
N-[[1-(bromomethyl)cycloheptyl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 65010281
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine
CID 65002013
N-(2-methoxyethyl)-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-2-amine
CID 62260342
N-ethyl-1-methoxy-N-[[1-(methylaminomethyl)cyclopentyl]methyl]propan-2-amine
CID 62255890
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylpropan-2-amine
CID 65009190
N-[[1-(bromomethyl)cyclopropyl]methyl]-N-propan-2-ylpentan-1-amine
CID 65013731
N-(2-methoxyethyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-2-amine
CID 55164134

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclobutyl]methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine?
The IUPAC name of N-[[1-(bromomethyl)cyclobutyl]methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine (CID 65009370) is N-[[1-(bromomethyl)cyclobutyl]methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclobutyl]methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine?
The canonical SMILES for N-[[1-(bromomethyl)cyclobutyl]methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine is COCCN(CC1(CBr)CCC1)C(C)COC.
What is the InChIKey of N-[[1-(bromomethyl)cyclobutyl]methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine?
The InChIKey is RSAIDPBUSDNXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO2/c1-12(9-17-3)15(7-8-16-2)11-13(10-14)5-4-6-13/h12H,4-11H2,1-3H3.
What are the key properties of N-[[1-(bromomethyl)cyclobutyl]methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine?
N-[[1-(bromomethyl)cyclobutyl]methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine has a molecular weight of 308.26 g/mol, XLogP of 2.53, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclobutyl]methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine is sourced from PubChem (CID 65009370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).