4-methoxybutane-1,2-diamine

C5H14N2O — CID 62477834

IUPAC4-methoxybutane-1,2-diamine
SMILESCOCCC(N)CN
InChIInChI=1S/C5H14N2O/c1-8-3-2-5(7)4-6/h5H,2-4,6-7H2,1H3
InChIKeyVGHVEWVHFGVRDM-UHFFFAOYSA-N
MW118.18 g/mol
LogP-0.69
Rot. Bonds4

About 4-methoxybutane-1,2-diamine

4-methoxybutane-1,2-diamine (PubChem CID 62477834) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is 4-methoxybutane-1,2-diamine.

Molecular Properties

Compound Name4-methoxybutane-1,2-diamine
PubChem CID62477834
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Name4-methoxybutane-1,2-diamine
SMILESCOCCC(N)CN
InChIInChI=1S/C5H14N2O/c1-8-3-2-5(7)4-6/h5H,2-4,6-7H2,1H3
InChIKeyVGHVEWVHFGVRDM-UHFFFAOYSA-N
XLogP-0.69
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxybutane-1,2-diamine?
The IUPAC name of 4-methoxybutane-1,2-diamine (CID 62477834) is 4-methoxybutane-1,2-diamine.
What is the SMILES notation for 4-methoxybutane-1,2-diamine?
The canonical SMILES for 4-methoxybutane-1,2-diamine is COCCC(N)CN.
What is the InChIKey of 4-methoxybutane-1,2-diamine?
The InChIKey is VGHVEWVHFGVRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O/c1-8-3-2-5(7)4-6/h5H,2-4,6-7H2,1H3.
What are the key properties of 4-methoxybutane-1,2-diamine?
4-methoxybutane-1,2-diamine has a molecular weight of 118.18 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybutane-1,2-diamine is sourced from PubChem (CID 62477834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).