N'-[(2R)-4-methoxy-2,4-dimethylpentyl]-N,N'-dimethylethane-1,2-diamine

C12H28N2O — CID 174136630

IUPACN'-[(2R)-4-methoxy-2,4-dimethylpentyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)C[C@H](C)CC(C)(C)OC
InChIInChI=1S/C12H28N2O/c1-11(9-12(2,3)15-6)10-14(5)8-7-13-4/h11,13H,7-10H2,1-6H3/t11-/m1/s1
InChIKeyHABAHJHJVYZAMV-LLVKDONJSA-N
MW216.37 g/mol
LogP1.59
Rot. Bonds8

About N'-[(2R)-4-methoxy-2,4-dimethylpentyl]-N,N'-dimethylethane-1,2-diamine

N'-[(2R)-4-methoxy-2,4-dimethylpentyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 174136630) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N'-[(2R)-4-methoxy-2,4-dimethylpentyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2R)-4-methoxy-2,4-dimethylpentyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID174136630
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN'-[(2R)-4-methoxy-2,4-dimethylpentyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)C[C@H](C)CC(C)(C)OC
InChIInChI=1S/C12H28N2O/c1-11(9-12(2,3)15-6)10-14(5)8-7-13-4/h11,13H,7-10H2,1-6H3/t11-/m1/s1
InChIKeyHABAHJHJVYZAMV-LLVKDONJSA-N
XLogP1.59
TPSA24.50 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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-4-methoxy-2,4-dimethylpentyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(2R)-4-methoxy-2,4-dimethylpentyl]-N,N'-dimethylethane-1,2-diamine (CID 174136630) is N'-[(2R)-4-methoxy-2,4-dimethylpentyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(2R)-4-methoxy-2,4-dimethylpentyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(2R)-4-methoxy-2,4-dimethylpentyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)C[C@H](C)CC(C)(C)OC.
What is the InChIKey of N'-[(2R)-4-methoxy-2,4-dimethylpentyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is HABAHJHJVYZAMV-LLVKDONJSA-N. The full InChI is InChI=1S/C12H28N2O/c1-11(9-12(2,3)15-6)10-14(5)8-7-13-4/h11,13H,7-10H2,1-6H3/t11-/m1/s1.
What are the key properties of N'-[(2R)-4-methoxy-2,4-dimethylpentyl]-N,N'-dimethylethane-1,2-diamine?
N'-[(2R)-4-methoxy-2,4-dimethylpentyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-4-methoxy-2,4-dimethylpentyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 174136630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).