4-methoxy-2-N,4-dimethylpentane-1,2-diamine

C8H20N2O — CID 106675654

IUPAC4-methoxy-2-N,4-dimethylpentane-1,2-diamine
SMILESCNC(CN)CC(C)(C)OC
InChIInChI=1S/C8H20N2O/c1-8(2,11-4)5-7(6-9)10-3/h7,10H,5-6,9H2,1-4H3
InChIKeyFCVZVOQBKOQCFQ-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.35
Rot. Bonds5

About 4-methoxy-2-N,4-dimethylpentane-1,2-diamine

4-methoxy-2-N,4-dimethylpentane-1,2-diamine (PubChem CID 106675654) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 4-methoxy-2-N,4-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-2-N,4-dimethylpentane-1,2-diamine
PubChem CID106675654
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name4-methoxy-2-N,4-dimethylpentane-1,2-diamine
SMILESCNC(CN)CC(C)(C)OC
InChIInChI=1S/C8H20N2O/c1-8(2,11-4)5-7(6-9)10-3/h7,10H,5-6,9H2,1-4H3
InChIKeyFCVZVOQBKOQCFQ-UHFFFAOYSA-N
XLogP0.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-N,4-dimethylpentane-1,2-diamine?
The IUPAC name of 4-methoxy-2-N,4-dimethylpentane-1,2-diamine (CID 106675654) is 4-methoxy-2-N,4-dimethylpentane-1,2-diamine.
What is the SMILES notation for 4-methoxy-2-N,4-dimethylpentane-1,2-diamine?
The canonical SMILES for 4-methoxy-2-N,4-dimethylpentane-1,2-diamine is CNC(CN)CC(C)(C)OC.
What is the InChIKey of 4-methoxy-2-N,4-dimethylpentane-1,2-diamine?
The InChIKey is FCVZVOQBKOQCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-8(2,11-4)5-7(6-9)10-3/h7,10H,5-6,9H2,1-4H3.
What are the key properties of 4-methoxy-2-N,4-dimethylpentane-1,2-diamine?
4-methoxy-2-N,4-dimethylpentane-1,2-diamine has a molecular weight of 160.26 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-N,4-dimethylpentane-1,2-diamine is sourced from PubChem (CID 106675654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).