2-N,2-diethyl-2-N-(3-methoxy-3-methylbutyl)butane-1,2-diamine

C14H32N2O — CID 103033022

IUPAC2-N,2-diethyl-2-N-(3-methoxy-3-methylbutyl)butane-1,2-diamine
SMILESCCN(CCC(C)(C)OC)C(CC)(CC)CN
InChIInChI=1S/C14H32N2O/c1-7-14(8-2,12-15)16(9-3)11-10-13(4,5)17-6/h7-12,15H2,1-6H3
InChIKeyMAKCXYFUWKTKDA-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.64
Rot. Bonds9

About 2-N,2-diethyl-2-N-(3-methoxy-3-methylbutyl)butane-1,2-diamine

2-N,2-diethyl-2-N-(3-methoxy-3-methylbutyl)butane-1,2-diamine (PubChem CID 103033022) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 2-N,2-diethyl-2-N-(3-methoxy-3-methylbutyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-diethyl-2-N-(3-methoxy-3-methylbutyl)butane-1,2-diamine
PubChem CID103033022
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name2-N,2-diethyl-2-N-(3-methoxy-3-methylbutyl)butane-1,2-diamine
SMILESCCN(CCC(C)(C)OC)C(CC)(CC)CN
InChIInChI=1S/C14H32N2O/c1-7-14(8-2,12-15)16(9-3)11-10-13(4,5)17-6/h7-12,15H2,1-6H3
InChIKeyMAKCXYFUWKTKDA-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-diethyl-2-N-(3-methoxy-3-methylbutyl)butane-1,2-diamine?
The IUPAC name of 2-N,2-diethyl-2-N-(3-methoxy-3-methylbutyl)butane-1,2-diamine (CID 103033022) is 2-N,2-diethyl-2-N-(3-methoxy-3-methylbutyl)butane-1,2-diamine.
What is the SMILES notation for 2-N,2-diethyl-2-N-(3-methoxy-3-methylbutyl)butane-1,2-diamine?
The canonical SMILES for 2-N,2-diethyl-2-N-(3-methoxy-3-methylbutyl)butane-1,2-diamine is CCN(CCC(C)(C)OC)C(CC)(CC)CN.
What is the InChIKey of 2-N,2-diethyl-2-N-(3-methoxy-3-methylbutyl)butane-1,2-diamine?
The InChIKey is MAKCXYFUWKTKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-7-14(8-2,12-15)16(9-3)11-10-13(4,5)17-6/h7-12,15H2,1-6H3.
What are the key properties of 2-N,2-diethyl-2-N-(3-methoxy-3-methylbutyl)butane-1,2-diamine?
2-N,2-diethyl-2-N-(3-methoxy-3-methylbutyl)butane-1,2-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-diethyl-2-N-(3-methoxy-3-methylbutyl)butane-1,2-diamine is sourced from PubChem (CID 103033022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).