N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyloxolan-3-amine

C13H24BrNO — CID 82747858

IUPACN-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyloxolan-3-amine
SMILESCN(CC1(CBr)CCCCC1)C1CCOC1
InChIInChI=1S/C13H24BrNO/c1-15(12-5-8-16-9-12)11-13(10-14)6-3-2-4-7-13/h12H,2-11H2,1H3
InChIKeyRSTLGKOKFLAHCP-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.05
Rot. Bonds4

About N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyloxolan-3-amine

N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyloxolan-3-amine (PubChem CID 82747858) has the molecular formula C13H24BrNO and a molecular weight of 290.25 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyloxolan-3-amine
PubChem CID82747858
Molecular FormulaC13H24BrNO
Molecular Weight290.25 g/mol
Exact Mass289.10
IUPAC NameN-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyloxolan-3-amine
SMILESCN(CC1(CBr)CCCCC1)C1CCOC1
InChIInChI=1S/C13H24BrNO/c1-15(12-5-8-16-9-12)11-13(10-14)6-3-2-4-7-13/h12H,2-11H2,1H3
InChIKeyRSTLGKOKFLAHCP-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
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-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methyloxolan-3-amine
CID 82748066
N-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]-N-methyloxolan-3-amine
CID 82744183
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylcyclohexanamine
CID 65010270
[1-[[methyl(oxolan-3-yl)amino]methyl]cyclopropyl]methanethiol
CID 82744739
N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methylcyclopentanamine
CID 65004803
N-[[1-(bromomethyl)cycloheptyl]methyl]-N,1-dimethylpiperidin-4-amine
CID 65010272
1-[[methyl(oxolan-3-yl)amino]methyl]cycloheptane-1-carbaldehyde
CID 82743523
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 65006542
N-[[1-(bromomethyl)cyclohexyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 65002528
N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]oxan-4-amine
CID 62258238
N-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]oxolan-3-amine
CID 82743297
1-[[1-(bromomethyl)cycloheptyl]methyl]-N,N-dimethylpiperidin-4-amine
CID 65010468

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyloxolan-3-amine?
The IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyloxolan-3-amine (CID 82747858) is N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyloxolan-3-amine?
The canonical SMILES for N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyloxolan-3-amine is CN(CC1(CBr)CCCCC1)C1CCOC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyloxolan-3-amine?
The InChIKey is RSTLGKOKFLAHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-15(12-5-8-16-9-12)11-13(10-14)6-3-2-4-7-13/h12H,2-11H2,1H3.
What are the key properties of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyloxolan-3-amine?
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyloxolan-3-amine has a molecular weight of 290.25 g/mol, XLogP of 3.05, 4 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-methyloxolan-3-amine is sourced from PubChem (CID 82747858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).