1-N-methoxy-1-N-methylcyclobutane-1,3-diamine

C6H14N2O — CID 80561505

IUPAC1-N-methoxy-1-N-methylcyclobutane-1,3-diamine
SMILESCON(C)C1CC(N)C1
InChIInChI=1S/C6H14N2O/c1-8(9-2)6-3-5(7)4-6/h5-6H,3-4,7H2,1-2H3
InChIKeyGPPLBUSNRDJFST-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.03
Rot. Bonds2

About 1-N-methoxy-1-N-methylcyclobutane-1,3-diamine

1-N-methoxy-1-N-methylcyclobutane-1,3-diamine (PubChem CID 80561505) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-N-methoxy-1-N-methylcyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-methoxy-1-N-methylcyclobutane-1,3-diamine
PubChem CID80561505
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name1-N-methoxy-1-N-methylcyclobutane-1,3-diamine
SMILESCON(C)C1CC(N)C1
InChIInChI=1S/C6H14N2O/c1-8(9-2)6-3-5(7)4-6/h5-6H,3-4,7H2,1-2H3
InChIKeyGPPLBUSNRDJFST-UHFFFAOYSA-N
XLogP-0.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.03
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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Frequently Asked Questions

What is the IUPAC name of 1-N-methoxy-1-N-methylcyclobutane-1,3-diamine?
The IUPAC name of 1-N-methoxy-1-N-methylcyclobutane-1,3-diamine (CID 80561505) is 1-N-methoxy-1-N-methylcyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-methoxy-1-N-methylcyclobutane-1,3-diamine?
The canonical SMILES for 1-N-methoxy-1-N-methylcyclobutane-1,3-diamine is CON(C)C1CC(N)C1.
What is the InChIKey of 1-N-methoxy-1-N-methylcyclobutane-1,3-diamine?
The InChIKey is GPPLBUSNRDJFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-8(9-2)6-3-5(7)4-6/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 1-N-methoxy-1-N-methylcyclobutane-1,3-diamine?
1-N-methoxy-1-N-methylcyclobutane-1,3-diamine has a molecular weight of 130.19 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methoxy-1-N-methylcyclobutane-1,3-diamine is sourced from PubChem (CID 80561505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).