3,3-diethyl-1-(3-methoxycyclobutyl)-1,4-diazepane

C14H28N2O — CID 114120464

IUPAC3,3-diethyl-1-(3-methoxycyclobutyl)-1,4-diazepane
SMILESCCC1(CC)CN(C2CC(OC)C2)CCCN1
InChIInChI=1S/C14H28N2O/c1-4-14(5-2)11-16(8-6-7-15-14)12-9-13(10-12)17-3/h12-13,15H,4-11H2,1-3H3
InChIKeyZHONTGVYEPCJOS-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds4

About 3,3-diethyl-1-(3-methoxycyclobutyl)-1,4-diazepane

3,3-diethyl-1-(3-methoxycyclobutyl)-1,4-diazepane (PubChem CID 114120464) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3,3-diethyl-1-(3-methoxycyclobutyl)-1,4-diazepane.

Molecular Properties

Compound Name3,3-diethyl-1-(3-methoxycyclobutyl)-1,4-diazepane
PubChem CID114120464
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3,3-diethyl-1-(3-methoxycyclobutyl)-1,4-diazepane
SMILESCCC1(CC)CN(C2CC(OC)C2)CCCN1
InChIInChI=1S/C14H28N2O/c1-4-14(5-2)11-16(8-6-7-15-14)12-9-13(10-12)17-3/h12-13,15H,4-11H2,1-3H3
InChIKeyZHONTGVYEPCJOS-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(3-methoxycyclobutyl)-1,4-diazepane?
The IUPAC name of 3,3-diethyl-1-(3-methoxycyclobutyl)-1,4-diazepane (CID 114120464) is 3,3-diethyl-1-(3-methoxycyclobutyl)-1,4-diazepane.
What is the SMILES notation for 3,3-diethyl-1-(3-methoxycyclobutyl)-1,4-diazepane?
The canonical SMILES for 3,3-diethyl-1-(3-methoxycyclobutyl)-1,4-diazepane is CCC1(CC)CN(C2CC(OC)C2)CCCN1.
What is the InChIKey of 3,3-diethyl-1-(3-methoxycyclobutyl)-1,4-diazepane?
The InChIKey is ZHONTGVYEPCJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-14(5-2)11-16(8-6-7-15-14)12-9-13(10-12)17-3/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 3,3-diethyl-1-(3-methoxycyclobutyl)-1,4-diazepane?
3,3-diethyl-1-(3-methoxycyclobutyl)-1,4-diazepane has a molecular weight of 240.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(3-methoxycyclobutyl)-1,4-diazepane is sourced from PubChem (CID 114120464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).