N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine

C16H32BrNO — CID 65010232

IUPACN-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCOCCN(CC(C)C)CC1(CBr)CCCCCC1
InChIInChI=1S/C16H32BrNO/c1-15(2)12-18(10-11-19-3)14-16(13-17)8-6-4-5-7-9-16/h15H,4-14H2,1-3H3
InChIKeyXPUYIGARUNWNSC-UHFFFAOYSA-N
MW334.34 g/mol
LogP4.33
Rot. Bonds8

About N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine

N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine (PubChem CID 65010232) has the molecular formula C16H32BrNO and a molecular weight of 334.34 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
PubChem CID65010232
Molecular FormulaC16H32BrNO
Molecular Weight334.34 g/mol
Exact Mass333.17
IUPAC NameN-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCOCCN(CC(C)C)CC1(CBr)CCCCCC1
InChIInChI=1S/C16H32BrNO/c1-15(2)12-18(10-11-19-3)14-16(13-17)8-6-4-5-7-9-16/h15H,4-14H2,1-3H3
InChIKeyXPUYIGARUNWNSC-UHFFFAOYSA-N
XLogP4.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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)cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65001962
1-[[2-methoxyethyl(2-methylpropyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 55051071
N-[[1-(bromomethyl)cyclobutyl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 65009847
N-[[1-(bromomethyl)cyclobutyl]methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 65009370
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65009142
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 81171349
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81062152
N-[[1-(bromomethyl)cyclopentyl]methyl]-N,3-dimethylbutan-1-amine
CID 65003333
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine
CID 65010072
N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62257485
[1-[[bis(2-methylpropyl)amino]methyl]cyclopentyl]methanol
CID 62270231

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine (CID 65010232) is N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine is COCCN(CC(C)C)CC1(CBr)CCCCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The InChIKey is XPUYIGARUNWNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32BrNO/c1-15(2)12-18(10-11-19-3)14-16(13-17)8-6-4-5-7-9-16/h15H,4-14H2,1-3H3.
What are the key properties of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine?
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine has a molecular weight of 334.34 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 65010232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).