N,3-dimethoxycyclobutan-1-amine

C6H13NO2 — CID 106821578

IUPACN,3-dimethoxycyclobutan-1-amine
SMILESCONC1CC(OC)C1
InChIInChI=1S/C6H13NO2/c1-8-6-3-5(4-6)7-9-2/h5-7H,3-4H2,1-2H3
InChIKeyHCQVCBDIDBHBAA-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.31
Rot. Bonds3

About N,3-dimethoxycyclobutan-1-amine

N,3-dimethoxycyclobutan-1-amine (PubChem CID 106821578) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is N,3-dimethoxycyclobutan-1-amine.

Molecular Properties

Compound NameN,3-dimethoxycyclobutan-1-amine
PubChem CID106821578
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC NameN,3-dimethoxycyclobutan-1-amine
SMILESCONC1CC(OC)C1
InChIInChI=1S/C6H13NO2/c1-8-6-3-5(4-6)7-9-2/h5-7H,3-4H2,1-2H3
InChIKeyHCQVCBDIDBHBAA-UHFFFAOYSA-N
XLogP0.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-trimethoxycyclohexane
CID 547415
(1S,3R,5R)-3-methoxy-N,5-dimethylcyclohexan-1-amine
CID 143150213
N-(3-methoxycyclobutyl)ethanethioamide
CID 142576151
3-(3-methoxycyclobutyl)-1,1-dimethylurea
CID 104581744
N,2-dimethoxy-6-methyloxan-4-amine
CID 123245320
ethane;3-methoxy-N-methylcyclopentan-1-amine
CID 164585238
N-methoxycyclohexanamine
CID 10975508
N-(3-methoxycyclobutyl)pyrrol-1-amine
CID 106821520
1-(3-methoxycyclobutyl)-3-methylthiourea
CID 104587614
N-(2-cyclopentyloxyethyl)-3-methoxycyclobutan-1-amine
CID 104871151
N-hexyl-3-methoxycyclobutan-1-amine
CID 104870767
N-(1-cyclopentylethyl)-3-methoxycyclobutan-1-amine
CID 104584547

Frequently Asked Questions

What is the IUPAC name of N,3-dimethoxycyclobutan-1-amine?
The IUPAC name of N,3-dimethoxycyclobutan-1-amine (CID 106821578) is N,3-dimethoxycyclobutan-1-amine.
What is the SMILES notation for N,3-dimethoxycyclobutan-1-amine?
The canonical SMILES for N,3-dimethoxycyclobutan-1-amine is CONC1CC(OC)C1.
What is the InChIKey of N,3-dimethoxycyclobutan-1-amine?
The InChIKey is HCQVCBDIDBHBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-8-6-3-5(4-6)7-9-2/h5-7H,3-4H2,1-2H3.
What are the key properties of N,3-dimethoxycyclobutan-1-amine?
N,3-dimethoxycyclobutan-1-amine has a molecular weight of 131.18 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethoxycyclobutan-1-amine is sourced from PubChem (CID 106821578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).