N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine

C15H28BrNO — CID 65002423

IUPACN-[[1-(bromomethyl)cyclohexyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCN(CC1CCCO1)CC1(CBr)CCCCC1
InChIInChI=1S/C15H28BrNO/c1-2-17(11-14-7-6-10-18-14)13-15(12-16)8-4-3-5-9-15/h14H,2-13H2,1H3
InChIKeyGTQJCGGUSANJFF-UHFFFAOYSA-N
MW318.30 g/mol
LogP3.83
Rot. Bonds6

About N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine

N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 65002423) has the molecular formula C15H28BrNO and a molecular weight of 318.30 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclohexyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID65002423
Molecular FormulaC15H28BrNO
Molecular Weight318.30 g/mol
Exact Mass317.14
IUPAC NameN-[[1-(bromomethyl)cyclohexyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCN(CC1CCCO1)CC1(CBr)CCCCC1
InChIInChI=1S/C15H28BrNO/c1-2-17(11-14-7-6-10-18-14)13-15(12-16)8-4-3-5-9-15/h14H,2-13H2,1H3
InChIKeyGTQJCGGUSANJFF-UHFFFAOYSA-N
XLogP3.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.83
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-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]cyclopropanamine
CID 62256933
N-[[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]ethanamine
CID 55055994
N-[[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 62256935
2-[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65497652
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine
CID 65010072
N-[[3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 55056042
2-[3-[1-(bromomethyl)cyclohexyl]propyl]oxolane
CID 66048020
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethylpropan-1-amine
CID 65002069
[1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methanol
CID 62265462
N-ethyl-2-(1-hydroxycyclopentyl)-N-(oxolan-2-ylmethyl)acetamide
CID 111430742
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylcyclopropanamine
CID 65010174
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65001962

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine (CID 65002423) is N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine is CCN(CC1CCCO1)CC1(CBr)CCCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is GTQJCGGUSANJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BrNO/c1-2-17(11-14-7-6-10-18-14)13-15(12-16)8-4-3-5-9-15/h14H,2-13H2,1H3.
What are the key properties of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine?
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 318.30 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 65002423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).