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

C8H20N2O — CID 62477493

IUPAC4-methoxy-1-N-propylbutane-1,2-diamine
SMILESCCCNCC(N)CCOC
InChIInChI=1S/C8H20N2O/c1-3-5-10-7-8(9)4-6-11-2/h8,10H,3-7,9H2,1-2H3
InChIKeyOJLHFXSGEPPHGE-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.35
Rot. Bonds7

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

4-methoxy-1-N-propylbutane-1,2-diamine (PubChem CID 62477493) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 4-methoxy-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-1-N-propylbutane-1,2-diamine
PubChem CID62477493
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name4-methoxy-1-N-propylbutane-1,2-diamine
SMILESCCCNCC(N)CCOC
InChIInChI=1S/C8H20N2O/c1-3-5-10-7-8(9)4-6-11-2/h8,10H,3-7,9H2,1-2H3
InChIKeyOJLHFXSGEPPHGE-UHFFFAOYSA-N
XLogP0.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N-propylbutane-1,2-diamine?
The IUPAC name of 4-methoxy-1-N-propylbutane-1,2-diamine (CID 62477493) is 4-methoxy-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 4-methoxy-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 4-methoxy-1-N-propylbutane-1,2-diamine is CCCNCC(N)CCOC.
What is the InChIKey of 4-methoxy-1-N-propylbutane-1,2-diamine?
The InChIKey is OJLHFXSGEPPHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-3-5-10-7-8(9)4-6-11-2/h8,10H,3-7,9H2,1-2H3.
What are the key properties of 4-methoxy-1-N-propylbutane-1,2-diamine?
4-methoxy-1-N-propylbutane-1,2-diamine has a molecular weight of 160.26 g/mol, XLogP of 0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 62477493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).