N'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylethane-1,2-diamine

C11H26N2O — CID 103032993

IUPACN'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCOC(C)(C)CCN(CCN)C(C)C
InChIInChI=1S/C11H26N2O/c1-10(2)13(9-7-12)8-6-11(3,4)14-5/h10H,6-9,12H2,1-5H3
InChIKeyGGGFNOGGCVYPHX-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.47
Rot. Bonds7

About N'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylethane-1,2-diamine

N'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 103032993) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is N'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID103032993
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC NameN'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCOC(C)(C)CCN(CCN)C(C)C
InChIInChI=1S/C11H26N2O/c1-10(2)13(9-7-12)8-6-11(3,4)14-5/h10H,6-9,12H2,1-5H3
InChIKeyGGGFNOGGCVYPHX-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-Methoxy-3-methylbutyl)piperidin-2-yl]ethanamine
CID 103032462
1-(3-Methoxy-3-methylbutyl)piperidin-3-amine
CID 103032472
1-(3-methoxy-3-methylbutyl)-N-methylpiperidin-3-amine
CID 103032474
N'-ethyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine
CID 103032967
N'-(3-methoxy-3-methylbutyl)-N'-propylpropane-1,3-diamine
CID 103032968
N'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
CID 103032969
2-[4-(3-Methoxy-3-methylbutyl)piperazin-1-yl]ethanamine
CID 103032975
N'-(3-methoxy-3-methylbutyl)-N',2-dimethylpropane-1,3-diamine
CID 103032998
2-N-(3-methoxy-3-methylbutyl)-2-N,2-dimethylpropane-1,2-diamine
CID 103033015
2-ethyl-2-N-(3-methoxy-3-methylbutyl)-2-N-methylbutane-1,2-diamine
CID 103033021
2-N,2-diethyl-2-N-(3-methoxy-3-methylbutyl)butane-1,2-diamine
CID 103033022
3-N-(3-methoxy-3-methylbutyl)-3-N-methylbutane-1,3-diamine
CID 103033024

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylethane-1,2-diamine (CID 103032993) is N'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylethane-1,2-diamine is COC(C)(C)CCN(CCN)C(C)C.
What is the InChIKey of N'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is GGGFNOGGCVYPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-10(2)13(9-7-12)8-6-11(3,4)14-5/h10H,6-9,12H2,1-5H3.
What are the key properties of N'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylethane-1,2-diamine?
N'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 103032993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).