N-[[1-(bromomethyl)cyclobutyl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine

C13H26BrNO2 — CID 65009847

IUPACN-[[1-(bromomethyl)cyclobutyl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCCN(CCOC)CC1(CBr)CCC1
InChIInChI=1S/C13H26BrNO2/c1-16-9-4-7-15(8-10-17-2)12-13(11-14)5-3-6-13/h3-12H2,1-2H3
InChIKeyRZFWHJVTAKAZQN-UHFFFAOYSA-N
MW308.26 g/mol
LogP2.54
Rot. Bonds10

About N-[[1-(bromomethyl)cyclobutyl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine

N-[[1-(bromomethyl)cyclobutyl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine (PubChem CID 65009847) has the molecular formula C13H26BrNO2 and a molecular weight of 308.26 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclobutyl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclobutyl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
PubChem CID65009847
Molecular FormulaC13H26BrNO2
Molecular Weight308.26 g/mol
Exact Mass307.11
IUPAC NameN-[[1-(bromomethyl)cyclobutyl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCCN(CCOC)CC1(CBr)CCC1
InChIInChI=1S/C13H26BrNO2/c1-16-9-4-7-15(8-10-17-2)12-13(11-14)5-3-6-13/h3-12H2,1-2H3
InChIKeyRZFWHJVTAKAZQN-UHFFFAOYSA-N
XLogP2.54
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[[1-(bromomethyl)cycloheptyl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 65010281
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 65010232
N-[[1-(bromomethyl)cyclobutyl]methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 65009370
N-[[1-(bromomethyl)cyclopropyl]methyl]-N-butylbutan-1-amine
CID 65013664
1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]cyclobutan-1-amine
CID 79841843
1-(bromomethyl)-1-[2-(3-methoxypropoxy)ethyl]cyclobutane
CID 103185009
2-[[1-(bromomethyl)cyclobutyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 65009843
4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxan-4-amine
CID 115295426
N-[(3-ethylpiperidin-3-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 63133024
3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine
CID 64893853
1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclobutane
CID 65007473
1-(bromomethyl)-1-(methoxymethyl)cyclobutane
CID 65007363

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclobutyl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of N-[[1-(bromomethyl)cyclobutyl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine (CID 65009847) is N-[[1-(bromomethyl)cyclobutyl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclobutyl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for N-[[1-(bromomethyl)cyclobutyl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine is COCCCN(CCOC)CC1(CBr)CCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclobutyl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is RZFWHJVTAKAZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO2/c1-16-9-4-7-15(8-10-17-2)12-13(11-14)5-3-6-13/h3-12H2,1-2H3.
What are the key properties of N-[[1-(bromomethyl)cyclobutyl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine?
N-[[1-(bromomethyl)cyclobutyl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 308.26 g/mol, XLogP of 2.54, 10 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]-3-methoxy-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 65009847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).