2-bromo-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

C12H22BrNO — CID 102637180

IUPAC2-bromo-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCN(CC1CCCO1)C1CCCCC1Br
InChIInChI=1S/C12H22BrNO/c1-14(9-10-5-4-8-15-10)12-7-3-2-6-11(12)13/h10-12H,2-9H2,1H3
InChIKeyZWFWGDMNDKFYDS-UHFFFAOYSA-N
MW276.22 g/mol
LogP2.80
Rot. Bonds3

About 2-bromo-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

2-bromo-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 102637180) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
PubChem CID102637180
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC Name2-bromo-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCN(CC1CCCO1)C1CCCCC1Br
InChIInChI=1S/C12H22BrNO/c1-14(9-10-5-4-8-15-10)12-7-3-2-6-11(12)13/h10-12H,2-9H2,1H3
InChIKeyZWFWGDMNDKFYDS-UHFFFAOYSA-N
XLogP2.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-bromo-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (CID 102637180) is 2-bromo-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-bromo-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-bromo-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is CN(CC1CCCO1)C1CCCCC1Br.
What is the InChIKey of 2-bromo-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is ZWFWGDMNDKFYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c1-14(9-10-5-4-8-15-10)12-7-3-2-6-11(12)13/h10-12H,2-9H2,1H3.
What are the key properties of 2-bromo-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
2-bromo-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 276.22 g/mol, XLogP of 2.80, 3 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-(oxolan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 102637180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).