N'-[(E)-4-aminobutylideneamino]propane-1,3-diamine

C7H18N4 — CID 135256608

IUPACN'-[(E)-4-aminobutylideneamino]propane-1,3-diamine
SMILESNCCC/C=N/NCCCN
InChIInChI=1S/C7H18N4/c8-4-1-2-6-10-11-7-3-5-9/h6,11H,1-5,7-9H2/b10-6+
InChIKeyCIDOZZSIJAYAND-UXBLZVDNSA-N
MW158.25 g/mol
LogP-0.35
Rot. Bonds7

About N'-[(E)-4-aminobutylideneamino]propane-1,3-diamine

N'-[(E)-4-aminobutylideneamino]propane-1,3-diamine (PubChem CID 135256608) has the molecular formula C7H18N4 and a molecular weight of 158.25 g/mol. Its IUPAC name is N'-[(E)-4-aminobutylideneamino]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(E)-4-aminobutylideneamino]propane-1,3-diamine
PubChem CID135256608
Molecular FormulaC7H18N4
Molecular Weight158.25 g/mol
Exact Mass158.15
IUPAC NameN'-[(E)-4-aminobutylideneamino]propane-1,3-diamine
SMILESNCCC/C=N/NCCCN
InChIInChI=1S/C7H18N4/c8-4-1-2-6-10-11-7-3-5-9/h6,11H,1-5,7-9H2/b10-6+
InChIKeyCIDOZZSIJAYAND-UXBLZVDNSA-N
XLogP-0.35
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 N'-[(E)-4-aminobutylideneamino]propane-1,3-diamine?
The IUPAC name of N'-[(E)-4-aminobutylideneamino]propane-1,3-diamine (CID 135256608) is N'-[(E)-4-aminobutylideneamino]propane-1,3-diamine.
What is the SMILES notation for N'-[(E)-4-aminobutylideneamino]propane-1,3-diamine?
The canonical SMILES for N'-[(E)-4-aminobutylideneamino]propane-1,3-diamine is NCCC/C=N/NCCCN.
What is the InChIKey of N'-[(E)-4-aminobutylideneamino]propane-1,3-diamine?
The InChIKey is CIDOZZSIJAYAND-UXBLZVDNSA-N. The full InChI is InChI=1S/C7H18N4/c8-4-1-2-6-10-11-7-3-5-9/h6,11H,1-5,7-9H2/b10-6+.
What are the key properties of N'-[(E)-4-aminobutylideneamino]propane-1,3-diamine?
N'-[(E)-4-aminobutylideneamino]propane-1,3-diamine has a molecular weight of 158.25 g/mol, XLogP of -0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-4-aminobutylideneamino]propane-1,3-diamine is sourced from PubChem (CID 135256608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).