2-bromo-N-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine

C13H24BrNO — CID 102637312

IUPAC2-bromo-N-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
SMILESCN(CCC1CCCO1)C1CCCCC1Br
InChIInChI=1S/C13H24BrNO/c1-15(9-8-11-5-4-10-16-11)13-7-3-2-6-12(13)14/h11-13H,2-10H2,1H3
InChIKeyMKTLBEAMAWPNNM-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.19
Rot. Bonds4

About 2-bromo-N-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine

2-bromo-N-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine (PubChem CID 102637312) has the molecular formula C13H24BrNO and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-bromo-N-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
PubChem CID102637312
Molecular FormulaC13H24BrNO
Molecular Weight290.25 g/mol
Exact Mass289.10
IUPAC Name2-bromo-N-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
SMILESCN(CCC1CCCO1)C1CCCCC1Br
InChIInChI=1S/C13H24BrNO/c1-15(9-8-11-5-4-10-16-11)13-7-3-2-6-12(13)14/h11-13H,2-10H2,1H3
InChIKeyMKTLBEAMAWPNNM-UHFFFAOYSA-N
XLogP3.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.19
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-(2-bromocyclohexyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 102638421
N-methyl-N-[2-(oxolan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 65161736
2-bromo-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine
CID 102637303
2-bromo-N-methyl-N-nonylcyclohexan-1-amine
CID 102637207
N-(2-chloroethyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65165670
2-bromo-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine
CID 102637350
N-(2-bromoethyl)-N-[2-(oxolan-2-yl)ethyl]propan-2-amine
CID 80671629
cis-(1R,2S)-2-N-methyl-2-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,2-diamine
CID 129430640
1-(aminomethyl)-N-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 65158615
2-bromo-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 102637295
2-[(2-bromocycloheptyl)methyl]oxolane
CID 62550191
1,1,3-trimethyl-3-[2-(oxan-2-yl)ethyl]urea
CID 110604883

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-bromo-N-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine (CID 102637312) is 2-bromo-N-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-bromo-N-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-bromo-N-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine is CN(CCC1CCCO1)C1CCCCC1Br.
What is the InChIKey of 2-bromo-N-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine?
The InChIKey is MKTLBEAMAWPNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-15(9-8-11-5-4-10-16-11)13-7-3-2-6-12(13)14/h11-13H,2-10H2,1H3.
What are the key properties of 2-bromo-N-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine?
2-bromo-N-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine has a molecular weight of 290.25 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 102637312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).