N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine

C14H26BrNO — CID 65002371

IUPACN-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCN(CC1CCCO1)CC1(CBr)CCCCC1
InChIInChI=1S/C14H26BrNO/c1-16(10-13-6-5-9-17-13)12-14(11-15)7-3-2-4-8-14/h13H,2-12H2,1H3
InChIKeyGVDCYEIFAZEGFE-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.44
Rot. Bonds5

About N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine

N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine (PubChem CID 65002371) has the molecular formula C14H26BrNO and a molecular weight of 304.27 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine
PubChem CID65002371
Molecular FormulaC14H26BrNO
Molecular Weight304.27 g/mol
Exact Mass303.12
IUPAC NameN-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCN(CC1CCCO1)CC1(CBr)CCCCC1
InChIInChI=1S/C14H26BrNO/c1-16(10-13-6-5-9-17-13)12-14(11-15)7-3-2-4-8-14/h13H,2-12H2,1H3
InChIKeyGVDCYEIFAZEGFE-UHFFFAOYSA-N
XLogP3.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.44
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 N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine (CID 65002371) is N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine is CN(CC1CCCO1)CC1(CBr)CCCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine?
The InChIKey is GVDCYEIFAZEGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO/c1-16(10-13-6-5-9-17-13)12-14(11-15)7-3-2-4-8-14/h13H,2-12H2,1H3.
What are the key properties of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine?
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine has a molecular weight of 304.27 g/mol, XLogP of 3.44, 5 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-methyl-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 65002371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).