2-amino-N-[3-[amino-[4-(3-hydrazinylpropylamino)butyl]amino]propyl]propanamide

C13H33N7O — CID 142152410

IUPAC2-amino-N-[3-[amino-[4-(3-hydrazinylpropylamino)butyl]amino]propyl]propanamide
SMILESCC(N)C(=O)NCCCN(N)CCCCNCCCNN
InChIInChI=1S/C13H33N7O/c1-12(14)13(21)18-8-5-11-20(16)10-3-2-6-17-7-4-9-19-15/h12,17,19H,2-11,14-16H2,1H3,(H,18,21)
InChIKeySMRZUSAMELNQMU-UHFFFAOYSA-N
MW303.45 g/mol
LogP-1.76
Rot. Bonds14

About 2-amino-N-[3-[amino-[4-(3-hydrazinylpropylamino)butyl]amino]propyl]propanamide

2-amino-N-[3-[amino-[4-(3-hydrazinylpropylamino)butyl]amino]propyl]propanamide (PubChem CID 142152410) has the molecular formula C13H33N7O and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-amino-N-[3-[amino-[4-(3-hydrazinylpropylamino)butyl]amino]propyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[3-[amino-[4-(3-hydrazinylpropylamino)butyl]amino]propyl]propanamide
PubChem CID142152410
Molecular FormulaC13H33N7O
Molecular Weight303.45 g/mol
Exact Mass303.27
IUPAC Name2-amino-N-[3-[amino-[4-(3-hydrazinylpropylamino)butyl]amino]propyl]propanamide
SMILESCC(N)C(=O)NCCCN(N)CCCCNCCCNN
InChIInChI=1S/C13H33N7O/c1-12(14)13(21)18-8-5-11-20(16)10-3-2-6-17-7-4-9-19-15/h12,17,19H,2-11,14-16H2,1H3,(H,18,21)
InChIKeySMRZUSAMELNQMU-UHFFFAOYSA-N
XLogP-1.76
TPSA134.46 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 5-1.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2-amino-N-[3-[amino-[4-(3-hydrazinylpropylamino)butyl]amino]propyl]propanamide?
The IUPAC name of 2-amino-N-[3-[amino-[4-(3-hydrazinylpropylamino)butyl]amino]propyl]propanamide (CID 142152410) is 2-amino-N-[3-[amino-[4-(3-hydrazinylpropylamino)butyl]amino]propyl]propanamide.
What is the SMILES notation for 2-amino-N-[3-[amino-[4-(3-hydrazinylpropylamino)butyl]amino]propyl]propanamide?
The canonical SMILES for 2-amino-N-[3-[amino-[4-(3-hydrazinylpropylamino)butyl]amino]propyl]propanamide is CC(N)C(=O)NCCCN(N)CCCCNCCCNN.
What is the InChIKey of 2-amino-N-[3-[amino-[4-(3-hydrazinylpropylamino)butyl]amino]propyl]propanamide?
The InChIKey is SMRZUSAMELNQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H33N7O/c1-12(14)13(21)18-8-5-11-20(16)10-3-2-6-17-7-4-9-19-15/h12,17,19H,2-11,14-16H2,1H3,(H,18,21).
What are the key properties of 2-amino-N-[3-[amino-[4-(3-hydrazinylpropylamino)butyl]amino]propyl]propanamide?
2-amino-N-[3-[amino-[4-(3-hydrazinylpropylamino)butyl]amino]propyl]propanamide has a molecular weight of 303.45 g/mol, XLogP of -1.76, 14 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[amino-[4-(3-hydrazinylpropylamino)butyl]amino]propyl]propanamide is sourced from PubChem (CID 142152410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).