2-N-(3-ethoxy-2-methoxycyclobutyl)-1-N,1-N,3-trimethylbutane-1,2-diamine

C14H30N2O2 — CID 113364970

IUPAC2-N-(3-ethoxy-2-methoxycyclobutyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCCOC1CC(NC(CN(C)C)C(C)C)C1OC
InChIInChI=1S/C14H30N2O2/c1-7-18-13-8-11(14(13)17-6)15-12(10(2)3)9-16(4)5/h10-15H,7-9H2,1-6H3
InChIKeyTZOLOGYDYOIPBR-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.35
Rot. Bonds8

About 2-N-(3-ethoxy-2-methoxycyclobutyl)-1-N,1-N,3-trimethylbutane-1,2-diamine

2-N-(3-ethoxy-2-methoxycyclobutyl)-1-N,1-N,3-trimethylbutane-1,2-diamine (PubChem CID 113364970) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-N-(3-ethoxy-2-methoxycyclobutyl)-1-N,1-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-ethoxy-2-methoxycyclobutyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
PubChem CID113364970
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name2-N-(3-ethoxy-2-methoxycyclobutyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCCOC1CC(NC(CN(C)C)C(C)C)C1OC
InChIInChI=1S/C14H30N2O2/c1-7-18-13-8-11(14(13)17-6)15-12(10(2)3)9-16(4)5/h10-15H,7-9H2,1-6H3
InChIKeyTZOLOGYDYOIPBR-UHFFFAOYSA-N
XLogP1.35
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethoxy-2-methoxycyclobutyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(3-ethoxy-2-methoxycyclobutyl)-1-N,1-N,3-trimethylbutane-1,2-diamine (CID 113364970) is 2-N-(3-ethoxy-2-methoxycyclobutyl)-1-N,1-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(3-ethoxy-2-methoxycyclobutyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(3-ethoxy-2-methoxycyclobutyl)-1-N,1-N,3-trimethylbutane-1,2-diamine is CCOC1CC(NC(CN(C)C)C(C)C)C1OC.
What is the InChIKey of 2-N-(3-ethoxy-2-methoxycyclobutyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The InChIKey is TZOLOGYDYOIPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-7-18-13-8-11(14(13)17-6)15-12(10(2)3)9-16(4)5/h10-15H,7-9H2,1-6H3.
What are the key properties of 2-N-(3-ethoxy-2-methoxycyclobutyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
2-N-(3-ethoxy-2-methoxycyclobutyl)-1-N,1-N,3-trimethylbutane-1,2-diamine has a molecular weight of 258.41 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethoxy-2-methoxycyclobutyl)-1-N,1-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 113364970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).