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

C11H26N2O — CID 103032998

IUPACN'-(3-methoxy-3-methylbutyl)-N',2-dimethylpropane-1,3-diamine
SMILESCOC(C)(C)CCN(C)CC(C)CN
InChIInChI=1S/C11H26N2O/c1-10(8-12)9-13(4)7-6-11(2,3)14-5/h10H,6-9,12H2,1-5H3
InChIKeyVOYCXWNALWSQIJ-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.33
Rot. Bonds7

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

N'-(3-methoxy-3-methylbutyl)-N',2-dimethylpropane-1,3-diamine (PubChem CID 103032998) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is N'-(3-methoxy-3-methylbutyl)-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-methoxy-3-methylbutyl)-N',2-dimethylpropane-1,3-diamine
PubChem CID103032998
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC NameN'-(3-methoxy-3-methylbutyl)-N',2-dimethylpropane-1,3-diamine
SMILESCOC(C)(C)CCN(C)CC(C)CN
InChIInChI=1S/C11H26N2O/c1-10(8-12)9-13(4)7-6-11(2,3)14-5/h10H,6-9,12H2,1-5H3
InChIKeyVOYCXWNALWSQIJ-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-Methoxypropyl)pyrrolidin-3-yl]methanamine
CID 17389974
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
N'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylethane-1,2-diamine
CID 103032993
3-N-(3-methoxy-3-methylbutyl)-3-N-methylbutane-1,3-diamine
CID 103033024
N'-(2-methoxyethyl)-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine
CID 103033025
N'-(3-methoxy-3-methylbutyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 103033073
3-methoxy-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 103033087
3-methoxy-3-methyl-N-(3-methylbutan-2-yl)butan-1-amine
CID 103033128
3-methoxy-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]butan-1-amine
CID 103033166
2-ethyl-N-(3-methoxy-3-methylbutyl)butan-1-amine
CID 103033638

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxy-3-methylbutyl)-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(3-methoxy-3-methylbutyl)-N',2-dimethylpropane-1,3-diamine (CID 103032998) is N'-(3-methoxy-3-methylbutyl)-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-methoxy-3-methylbutyl)-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(3-methoxy-3-methylbutyl)-N',2-dimethylpropane-1,3-diamine is COC(C)(C)CCN(C)CC(C)CN.
What is the InChIKey of N'-(3-methoxy-3-methylbutyl)-N',2-dimethylpropane-1,3-diamine?
The InChIKey is VOYCXWNALWSQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-10(8-12)9-13(4)7-6-11(2,3)14-5/h10H,6-9,12H2,1-5H3.
What are the key properties of N'-(3-methoxy-3-methylbutyl)-N',2-dimethylpropane-1,3-diamine?
N'-(3-methoxy-3-methylbutyl)-N',2-dimethylpropane-1,3-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.33, 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',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 103032998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).