N-chloro-3-(methoxymethyl)cyclobutan-1-amine

C6H12ClNO — CID 89230672

IUPACN-chloro-3-(methoxymethyl)cyclobutan-1-amine
SMILESCOCC1CC(NCl)C1
InChIInChI=1S/C6H12ClNO/c1-9-4-5-2-6(3-5)8-7/h5-6,8H,2-4H2,1H3
InChIKeyYEEIFLNCGQSULT-UHFFFAOYSA-N
MW149.62 g/mol
LogP1.15
Rot. Bonds3

About N-chloro-3-(methoxymethyl)cyclobutan-1-amine

N-chloro-3-(methoxymethyl)cyclobutan-1-amine (PubChem CID 89230672) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is N-chloro-3-(methoxymethyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-chloro-3-(methoxymethyl)cyclobutan-1-amine
PubChem CID89230672
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC NameN-chloro-3-(methoxymethyl)cyclobutan-1-amine
SMILESCOCC1CC(NCl)C1
InChIInChI=1S/C6H12ClNO/c1-9-4-5-2-6(3-5)8-7/h5-6,8H,2-4H2,1H3
InChIKeyYEEIFLNCGQSULT-UHFFFAOYSA-N
XLogP1.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-chloro-3-(methoxymethyl)cyclobutan-1-amine?
The IUPAC name of N-chloro-3-(methoxymethyl)cyclobutan-1-amine (CID 89230672) is N-chloro-3-(methoxymethyl)cyclobutan-1-amine.
What is the SMILES notation for N-chloro-3-(methoxymethyl)cyclobutan-1-amine?
The canonical SMILES for N-chloro-3-(methoxymethyl)cyclobutan-1-amine is COCC1CC(NCl)C1.
What is the InChIKey of N-chloro-3-(methoxymethyl)cyclobutan-1-amine?
The InChIKey is YEEIFLNCGQSULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO/c1-9-4-5-2-6(3-5)8-7/h5-6,8H,2-4H2,1H3.
What are the key properties of N-chloro-3-(methoxymethyl)cyclobutan-1-amine?
N-chloro-3-(methoxymethyl)cyclobutan-1-amine has a molecular weight of 149.62 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-3-(methoxymethyl)cyclobutan-1-amine is sourced from PubChem (CID 89230672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).