N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine

C13H26BrN — CID 65010072

IUPACN-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine
SMILESCCN(CC)CC1(CBr)CCCCCC1
InChIInChI=1S/C13H26BrN/c1-3-15(4-2)12-13(11-14)9-7-5-6-8-10-13/h3-12H2,1-2H3
InChIKeyYGBKVQZNCYDSEA-UHFFFAOYSA-N
MW276.26 g/mol
LogP4.06
Rot. Bonds5

About N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine

N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine (PubChem CID 65010072) has the molecular formula C13H26BrN and a molecular weight of 276.26 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine
PubChem CID65010072
Molecular FormulaC13H26BrN
Molecular Weight276.26 g/mol
Exact Mass275.12
IUPAC NameN-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine
SMILESCCN(CC)CC1(CBr)CCCCCC1
InChIInChI=1S/C13H26BrN/c1-3-15(4-2)12-13(11-14)9-7-5-6-8-10-13/h3-12H2,1-2H3
InChIKeyYGBKVQZNCYDSEA-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethylpropan-1-amine
CID 65002069
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65001962
N-benzyl-N-[[1-(bromomethyl)cyclohexyl]methyl]ethanamine
CID 65001960
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65009142
3-[[1-(bromomethyl)cyclopentyl]methyl-ethylamino]propanenitrile
CID 65003288
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylethanamine
CID 62262051
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylcyclopropanamine
CID 65010174
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 65002423
N'-[[1-(bromomethyl)cyclohexyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65002076
1-[[1-(bromomethyl)cyclobutyl]methyl-ethylamino]-2-methylpropan-2-ol
CID 79390593
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylpentan-3-amine
CID 65010565
N-[[1-(diethylaminomethyl)cyclohexyl]methyl]propan-2-amine
CID 62262794

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine (CID 65010072) is N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine is CCN(CC)CC1(CBr)CCCCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine?
The InChIKey is YGBKVQZNCYDSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrN/c1-3-15(4-2)12-13(11-14)9-7-5-6-8-10-13/h3-12H2,1-2H3.
What are the key properties of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine?
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine has a molecular weight of 276.26 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine is sourced from PubChem (CID 65010072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).