N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine

C14H28BrN — CID 65001962

IUPACN-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine
SMILESCCN(CC(C)C)CC1(CBr)CCCCC1
InChIInChI=1S/C14H28BrN/c1-4-16(10-13(2)3)12-14(11-15)8-6-5-7-9-14/h13H,4-12H2,1-3H3
InChIKeyCDBHGTWMLDETOP-UHFFFAOYSA-N
MW290.29 g/mol
LogP4.31
Rot. Bonds6

About N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine

N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine (PubChem CID 65001962) has the molecular formula C14H28BrN and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine
PubChem CID65001962
Molecular FormulaC14H28BrN
Molecular Weight290.29 g/mol
Exact Mass289.14
IUPAC NameN-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine
SMILESCCN(CC(C)C)CC1(CBr)CCCCC1
InChIInChI=1S/C14H28BrN/c1-4-16(10-13(2)3)12-14(11-15)8-6-5-7-9-14/h13H,4-12H2,1-3H3
InChIKeyCDBHGTWMLDETOP-UHFFFAOYSA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 54.31
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-ethyl-2-methylpropan-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)cyclobutyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65009142
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine
CID 65010072
N-ethyl-2-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine
CID 55051768
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 65010232
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethylpropan-1-amine
CID 65002069
N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 63482009
N-[[1-(bromomethyl)cyclopentyl]methyl]-N,2-dimethylbutan-1-amine
CID 65001469
N-[[1-(bromomethyl)cyclopentyl]methyl]-N,3-dimethylbutan-1-amine
CID 65003333
[1-[[bis(2-methylpropyl)amino]methyl]cyclopentyl]methanol
CID 62270231
N-[[1-(bromomethyl)cyclobutyl]methyl]-N,2-dimethylbutan-1-amine
CID 65009362
N'-[[1-(bromomethyl)cyclohexyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65002076
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63493661

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine (CID 65001962) is N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine is CCN(CC(C)C)CC1(CBr)CCCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine?
The InChIKey is CDBHGTWMLDETOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28BrN/c1-4-16(10-13(2)3)12-14(11-15)8-6-5-7-9-14/h13H,4-12H2,1-3H3.
What are the key properties of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine?
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine has a molecular weight of 290.29 g/mol, XLogP of 4.31, 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-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 65001962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).