1-N'-methoxybutane-1,1,4-triamine

C5H15N3O — CID 174585201

IUPAC1-N'-methoxybutane-1,1,4-triamine
SMILESCONC(N)CCCN
InChIInChI=1S/C5H15N3O/c1-9-8-5(7)3-2-4-6/h5,8H,2-4,6-7H2,1H3
InChIKeyLITZPFRRWOYIAI-UHFFFAOYSA-N
MW133.19 g/mol
LogP-0.84
Rot. Bonds5

About 1-N'-methoxybutane-1,1,4-triamine

1-N'-methoxybutane-1,1,4-triamine (PubChem CID 174585201) has the molecular formula C5H15N3O and a molecular weight of 133.19 g/mol. Its IUPAC name is 1-N'-methoxybutane-1,1,4-triamine.

Molecular Properties

Compound Name1-N'-methoxybutane-1,1,4-triamine
PubChem CID174585201
Molecular FormulaC5H15N3O
Molecular Weight133.19 g/mol
Exact Mass133.12
IUPAC Name1-N'-methoxybutane-1,1,4-triamine
SMILESCONC(N)CCCN
InChIInChI=1S/C5H15N3O/c1-9-8-5(7)3-2-4-6/h5,8H,2-4,6-7H2,1H3
InChIKeyLITZPFRRWOYIAI-UHFFFAOYSA-N
XLogP-0.84
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N'-methoxybutane-1,1,4-triamine?
The IUPAC name of 1-N'-methoxybutane-1,1,4-triamine (CID 174585201) is 1-N'-methoxybutane-1,1,4-triamine.
What is the SMILES notation for 1-N'-methoxybutane-1,1,4-triamine?
The canonical SMILES for 1-N'-methoxybutane-1,1,4-triamine is CONC(N)CCCN.
What is the InChIKey of 1-N'-methoxybutane-1,1,4-triamine?
The InChIKey is LITZPFRRWOYIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3O/c1-9-8-5(7)3-2-4-6/h5,8H,2-4,6-7H2,1H3.
What are the key properties of 1-N'-methoxybutane-1,1,4-triamine?
1-N'-methoxybutane-1,1,4-triamine has a molecular weight of 133.19 g/mol, XLogP of -0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-methoxybutane-1,1,4-triamine is sourced from PubChem (CID 174585201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).