N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethylpropan-1-amine

C13H26BrN — CID 65002069

IUPACN-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethylpropan-1-amine
SMILESCCCN(CC)CC1(CBr)CCCCC1
InChIInChI=1S/C13H26BrN/c1-3-10-15(4-2)12-13(11-14)8-6-5-7-9-13/h3-12H2,1-2H3
InChIKeyWZKOXRQAINDZAJ-UHFFFAOYSA-N
MW276.26 g/mol
LogP4.06
Rot. Bonds6

About N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethylpropan-1-amine

N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethylpropan-1-amine (PubChem CID 65002069) has the molecular formula C13H26BrN and a molecular weight of 276.26 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethylpropan-1-amine
PubChem CID65002069
Molecular FormulaC13H26BrN
Molecular Weight276.26 g/mol
Exact Mass275.12
IUPAC NameN-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethylpropan-1-amine
SMILESCCCN(CC)CC1(CBr)CCCCC1
InChIInChI=1S/C13H26BrN/c1-3-10-15(4-2)12-13(11-14)8-6-5-7-9-13/h3-12H2,1-2H3
InChIKeyWZKOXRQAINDZAJ-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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'}

Analyze N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine
CID 65010072
N'-[[1-(bromomethyl)cyclohexyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65002076
3-[[1-(bromomethyl)cyclopentyl]methyl-ethylamino]propanenitrile
CID 65003288
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 65010133
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65001962
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine
CID 65002013
N-benzyl-N-[[1-(bromomethyl)cyclohexyl]methyl]ethanamine
CID 65001960
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65009142
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylcyclopropanamine
CID 65010174
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylbutan-1-amine
CID 62262847
N-[[1-[[butyl(ethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
CID 63483056
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 65002423

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethylpropan-1-amine?
The IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethylpropan-1-amine (CID 65002069) is N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethylpropan-1-amine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethylpropan-1-amine?
The canonical SMILES for N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethylpropan-1-amine is CCCN(CC)CC1(CBr)CCCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethylpropan-1-amine?
The InChIKey is WZKOXRQAINDZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrN/c1-3-10-15(4-2)12-13(11-14)8-6-5-7-9-13/h3-12H2,1-2H3.
What are the key properties of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethylpropan-1-amine?
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethylpropan-1-amine has a molecular weight of 276.26 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethylpropan-1-amine is sourced from PubChem (CID 65002069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).