(2R)-2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide

C16H38N6O — CID 44572159

IUPAC(2R)-2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
SMILESNCCCC[C@@H](N)C(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C16H38N6O/c17-8-2-1-7-15(19)16(23)22-14-6-13-21-11-4-3-10-20-12-5-9-18/h15,20-21H,1-14,17-19H2,(H,22,23)/t15-/m1/s1
InChIKeyXTNRHIZWLNLONB-OAHLLOKOSA-N
MW330.52 g/mol
LogP-0.74
Rot. Bonds17

About (2R)-2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide

(2R)-2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide (PubChem CID 44572159) has the molecular formula C16H38N6O and a molecular weight of 330.52 g/mol. Its IUPAC name is (2R)-2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide.

Molecular Properties

Compound Name(2R)-2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
PubChem CID44572159
Molecular FormulaC16H38N6O
Molecular Weight330.52 g/mol
Exact Mass330.31
IUPAC Name(2R)-2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
SMILESNCCCC[C@@H](N)C(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C16H38N6O/c17-8-2-1-7-15(19)16(23)22-14-6-13-21-11-4-3-10-20-12-5-9-18/h15,20-21H,1-14,17-19H2,(H,22,23)/t15-/m1/s1
InChIKeyXTNRHIZWLNLONB-OAHLLOKOSA-N
XLogP-0.74
TPSA131.22 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.52
LogP ≤ 5-0.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide?
The IUPAC name of (2R)-2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide (CID 44572159) is (2R)-2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide.
What is the SMILES notation for (2R)-2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide?
The canonical SMILES for (2R)-2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide is NCCCC[C@@H](N)C(=O)NCCCNCCCCNCCCN.
What is the InChIKey of (2R)-2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide?
The InChIKey is XTNRHIZWLNLONB-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H38N6O/c17-8-2-1-7-15(19)16(23)22-14-6-13-21-11-4-3-10-20-12-5-9-18/h15,20-21H,1-14,17-19H2,(H,22,23)/t15-/m1/s1.
What are the key properties of (2R)-2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide?
(2R)-2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide has a molecular weight of 330.52 g/mol, XLogP of -0.74, 17 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide is sourced from PubChem (CID 44572159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).