N-(chloromethyl)oxan-4-amine

C6H12ClNO — CID 115262772

IUPACN-(chloromethyl)oxan-4-amine
SMILESClCNC1CCOCC1
InChIInChI=1S/C6H12ClNO/c7-5-8-6-1-3-9-4-2-6/h6,8H,1-5H2
InChIKeyWNTLXFKYPKITGR-UHFFFAOYSA-N
MW149.62 g/mol
LogP0.95
Rot. Bonds2

About N-(chloromethyl)oxan-4-amine

N-(chloromethyl)oxan-4-amine (PubChem CID 115262772) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is N-(chloromethyl)oxan-4-amine.

Molecular Properties

Compound NameN-(chloromethyl)oxan-4-amine
PubChem CID115262772
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC NameN-(chloromethyl)oxan-4-amine
SMILESClCNC1CCOCC1
InChIInChI=1S/C6H12ClNO/c7-5-8-6-1-3-9-4-2-6/h6,8H,1-5H2
InChIKeyWNTLXFKYPKITGR-UHFFFAOYSA-N
XLogP0.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.95
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)cyclobutanamine
CID 115262784
N-(bromomethyl)oxan-4-amine
CID 115261636
N'-(oxan-4-yl)methanediamine
CID 115225482
N-(2-fluoroethyl)oxan-4-amine
CID 80694353
N-propyloxan-4-amine
CID 18348908
N-(2-methylpropyl)oxan-4-amine;molecular hydrogen
CID 156813143
N-(oxan-4-ylmethyl)cyclohexanamine
CID 61269562
3-(oxan-4-ylamino)propane-1-thiol
CID 115224666
N-(oxan-4-ylmethyl)cycloheptanamine
CID 61269563
N-cyclopentyloxan-4-amine
CID 28694035
3-(oxepan-4-ylamino)propan-1-ol
CID 65076618
N-but-3-ynyloxan-4-amine
CID 63655853

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)oxan-4-amine?
The IUPAC name of N-(chloromethyl)oxan-4-amine (CID 115262772) is N-(chloromethyl)oxan-4-amine.
What is the SMILES notation for N-(chloromethyl)oxan-4-amine?
The canonical SMILES for N-(chloromethyl)oxan-4-amine is ClCNC1CCOCC1.
What is the InChIKey of N-(chloromethyl)oxan-4-amine?
The InChIKey is WNTLXFKYPKITGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO/c7-5-8-6-1-3-9-4-2-6/h6,8H,1-5H2.
What are the key properties of N-(chloromethyl)oxan-4-amine?
N-(chloromethyl)oxan-4-amine has a molecular weight of 149.62 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)oxan-4-amine is sourced from PubChem (CID 115262772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).