N-(bromomethyl)oxan-4-amine

C6H12BrNO — CID 115261636

IUPACN-(bromomethyl)oxan-4-amine
SMILESBrCNC1CCOCC1
InChIInChI=1S/C6H12BrNO/c7-5-8-6-1-3-9-4-2-6/h6,8H,1-5H2
InChIKeyQQPSGWPXTOCCFC-UHFFFAOYSA-N
MW194.07 g/mol
LogP1.11
Rot. Bonds2

About N-(bromomethyl)oxan-4-amine

N-(bromomethyl)oxan-4-amine (PubChem CID 115261636) has the molecular formula C6H12BrNO and a molecular weight of 194.07 g/mol. Its IUPAC name is N-(bromomethyl)oxan-4-amine.

Molecular Properties

Compound NameN-(bromomethyl)oxan-4-amine
PubChem CID115261636
Molecular FormulaC6H12BrNO
Molecular Weight194.07 g/mol
Exact Mass193.01
IUPAC NameN-(bromomethyl)oxan-4-amine
SMILESBrCNC1CCOCC1
InChIInChI=1S/C6H12BrNO/c7-5-8-6-1-3-9-4-2-6/h6,8H,1-5H2
InChIKeyQQPSGWPXTOCCFC-UHFFFAOYSA-N
XLogP1.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.07
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(chloromethyl)oxan-4-amine
CID 115262772
N'-(oxan-4-yl)methanediamine
CID 115225482
N-(2-fluoroethyl)oxan-4-amine
CID 80694353
N-propyloxan-4-amine
CID 18348908
N-[(3S)-3-bromo-2-methylbutyl]oxan-4-amine
CID 147170571
3-(oxan-4-ylamino)propane-1-thiol
CID 115224666
N-(2-methylpropyl)oxan-4-amine;molecular hydrogen
CID 156813143
N-but-3-ynyloxan-4-amine
CID 63655853
N-(2-bromoprop-2-enyl)oxepan-4-amine
CID 115886310
N-(2-methoxyethyl)oxan-4-amine;hydrochloride
CID 110204327
N-(2-methylbutyl)oxan-4-amine
CID 43609665
N-(oxan-4-yl)hydroxylamine
CID 82687656

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)oxan-4-amine?
The IUPAC name of N-(bromomethyl)oxan-4-amine (CID 115261636) is N-(bromomethyl)oxan-4-amine.
What is the SMILES notation for N-(bromomethyl)oxan-4-amine?
The canonical SMILES for N-(bromomethyl)oxan-4-amine is BrCNC1CCOCC1.
What is the InChIKey of N-(bromomethyl)oxan-4-amine?
The InChIKey is QQPSGWPXTOCCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrNO/c7-5-8-6-1-3-9-4-2-6/h6,8H,1-5H2.
What are the key properties of N-(bromomethyl)oxan-4-amine?
N-(bromomethyl)oxan-4-amine has a molecular weight of 194.07 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)oxan-4-amine is sourced from PubChem (CID 115261636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).