1-N-ethyl-1-N-methoxycyclobutane-1,3-diamine

C7H16N2O — CID 130512984

IUPAC1-N-ethyl-1-N-methoxycyclobutane-1,3-diamine
SMILESCCN(OC)C1CC(N)C1
InChIInChI=1S/C7H16N2O/c1-3-9(10-2)7-4-6(8)5-7/h6-7H,3-5,8H2,1-2H3
InChIKeySOPFFVWSVCBLGI-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.36
Rot. Bonds3

About 1-N-ethyl-1-N-methoxycyclobutane-1,3-diamine

1-N-ethyl-1-N-methoxycyclobutane-1,3-diamine (PubChem CID 130512984) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 1-N-ethyl-1-N-methoxycyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-methoxycyclobutane-1,3-diamine
PubChem CID130512984
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name1-N-ethyl-1-N-methoxycyclobutane-1,3-diamine
SMILESCCN(OC)C1CC(N)C1
InChIInChI=1S/C7H16N2O/c1-3-9(10-2)7-4-6(8)5-7/h6-7H,3-5,8H2,1-2H3
InChIKeySOPFFVWSVCBLGI-UHFFFAOYSA-N
XLogP0.36
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.36
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-ethyl-1-N-methoxycyclobutane-1,3-diamine?
The IUPAC name of 1-N-ethyl-1-N-methoxycyclobutane-1,3-diamine (CID 130512984) is 1-N-ethyl-1-N-methoxycyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-methoxycyclobutane-1,3-diamine?
The canonical SMILES for 1-N-ethyl-1-N-methoxycyclobutane-1,3-diamine is CCN(OC)C1CC(N)C1.
What is the InChIKey of 1-N-ethyl-1-N-methoxycyclobutane-1,3-diamine?
The InChIKey is SOPFFVWSVCBLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-3-9(10-2)7-4-6(8)5-7/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 1-N-ethyl-1-N-methoxycyclobutane-1,3-diamine?
1-N-ethyl-1-N-methoxycyclobutane-1,3-diamine has a molecular weight of 144.22 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-methoxycyclobutane-1,3-diamine is sourced from PubChem (CID 130512984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).