1-N,1-N-dimethoxybutane-1,3-diamine

C6H16N2O2 — CID 174967026

IUPAC1-N,1-N-dimethoxybutane-1,3-diamine
SMILESCON(CCC(C)N)OC
InChIInChI=1S/C6H16N2O2/c1-6(7)4-5-8(9-2)10-3/h6H,4-5,7H2,1-3H3
InChIKeyGSFFXISAGQPCJH-UHFFFAOYSA-N
MW148.21 g/mol
LogP0.15
Rot. Bonds5

About 1-N,1-N-dimethoxybutane-1,3-diamine

1-N,1-N-dimethoxybutane-1,3-diamine (PubChem CID 174967026) has the molecular formula C6H16N2O2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1-N,1-N-dimethoxybutane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethoxybutane-1,3-diamine
PubChem CID174967026
Molecular FormulaC6H16N2O2
Molecular Weight148.21 g/mol
Exact Mass148.12
IUPAC Name1-N,1-N-dimethoxybutane-1,3-diamine
SMILESCON(CCC(C)N)OC
InChIInChI=1S/C6H16N2O2/c1-6(7)4-5-8(9-2)10-3/h6H,4-5,7H2,1-3H3
InChIKeyGSFFXISAGQPCJH-UHFFFAOYSA-N
XLogP0.15
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethoxybutane-1,3-diamine?
The IUPAC name of 1-N,1-N-dimethoxybutane-1,3-diamine (CID 174967026) is 1-N,1-N-dimethoxybutane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-dimethoxybutane-1,3-diamine?
The canonical SMILES for 1-N,1-N-dimethoxybutane-1,3-diamine is CON(CCC(C)N)OC.
What is the InChIKey of 1-N,1-N-dimethoxybutane-1,3-diamine?
The InChIKey is GSFFXISAGQPCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2/c1-6(7)4-5-8(9-2)10-3/h6H,4-5,7H2,1-3H3.
What are the key properties of 1-N,1-N-dimethoxybutane-1,3-diamine?
1-N,1-N-dimethoxybutane-1,3-diamine has a molecular weight of 148.21 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethoxybutane-1,3-diamine is sourced from PubChem (CID 174967026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).