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

C12H28N2O — CID 103032969

IUPACN'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCOC(C)(C)CCN(CCCN)C(C)C
InChIInChI=1S/C12H28N2O/c1-11(2)14(9-6-8-13)10-7-12(3,4)15-5/h11H,6-10,13H2,1-5H3
InChIKeySRQMXCMVUIMGID-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.86
Rot. Bonds8

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

N'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 103032969) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID103032969
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCOC(C)(C)CCN(CCCN)C(C)C
InChIInChI=1S/C12H28N2O/c1-11(2)14(9-6-8-13)10-7-12(3,4)15-5/h11H,6-10,13H2,1-5H3
InChIKeySRQMXCMVUIMGID-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxy-3-methylbutyl)-N-methylpiperidin-4-amine
CID 103032453
N-ethyl-1-(3-methoxy-3-methylbutyl)piperidin-4-amine
CID 103032454
1-(3-Methoxy-3-methylbutyl)-3-methylpiperidin-4-amine
CID 103032480
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'-cyclohexyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine
CID 103032971
N'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylethane-1,2-diamine
CID 103032993
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
3-N-(3-methoxy-3-methylbutyl)-3-N-methylbutane-1,3-diamine
CID 103033024
2-[4-(3-Methoxy-3-methylbutyl)piperazin-1-yl]propan-1-amine
CID 103033026
N'-(3-methoxy-3-methylbutyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 103033073

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine (CID 103032969) is N'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine is COC(C)(C)CCN(CCCN)C(C)C.
What is the InChIKey of N'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is SRQMXCMVUIMGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-11(2)14(9-6-8-13)10-7-12(3,4)15-5/h11H,6-10,13H2,1-5H3.
What are the key properties of N'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine?
N'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.86, 8 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-ylpropane-1,3-diamine is sourced from PubChem (CID 103032969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).