(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(2-methylpropylamino)hexanamide

C20H46N6O — CID 88877305

IUPAC(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(2-methylpropylamino)hexanamide
SMILESCC(C)CNCCCC[C@H](N)C(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C20H46N6O/c1-18(2)17-25-13-4-3-9-19(22)20(27)26-16-8-15-24-12-6-5-11-23-14-7-10-21/h18-19,23-25H,3-17,21-22H2,1-2H3,(H,26,27)/t19-/m0/s1
InChIKeyGIPISTCBAXKQKF-IBGZPJMESA-N
MW386.63 g/mol
LogP0.54
Rot. Bonds20

About (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(2-methylpropylamino)hexanamide

(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(2-methylpropylamino)hexanamide (PubChem CID 88877305) has the molecular formula C20H46N6O and a molecular weight of 386.63 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(2-methylpropylamino)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(2-methylpropylamino)hexanamide
PubChem CID88877305
Molecular FormulaC20H46N6O
Molecular Weight386.63 g/mol
Exact Mass386.37
IUPAC Name(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(2-methylpropylamino)hexanamide
SMILESCC(C)CNCCCC[C@H](N)C(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C20H46N6O/c1-18(2)17-25-13-4-3-9-19(22)20(27)26-16-8-15-24-12-6-5-11-23-14-7-10-21/h18-19,23-25H,3-17,21-22H2,1-2H3,(H,26,27)/t19-/m0/s1
InChIKeyGIPISTCBAXKQKF-IBGZPJMESA-N
XLogP0.54
TPSA117.23 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.63
LogP ≤ 50.54
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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Related Compounds

2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
CID 23400695
(2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide
CID 11022527
2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(butylamino)hexanamide
CID 23400711
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(octadecylamino)hexanamide
CID 11621214
2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide
CID 4011235
(2S)-2,6-diamino-N-[6-[[(2S)-2,6-diaminohexanoyl]amino]hexyl]hexanamide
CID 100984594
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-hydroxypropanamide
CID 10924229
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-(butanoylamino)pentanamide
CID 59104625
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(2,2,3,3,4,4,4-heptafluorobutanoylamino)hexanamide
CID 10301860
N-[5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]cyclohexanecarboxamide
CID 72568812
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide
CID 154982765
N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]-2-methylpropanamide
CID 58260355

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(2-methylpropylamino)hexanamide?
The IUPAC name of (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(2-methylpropylamino)hexanamide (CID 88877305) is (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(2-methylpropylamino)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(2-methylpropylamino)hexanamide?
The canonical SMILES for (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(2-methylpropylamino)hexanamide is CC(C)CNCCCC[C@H](N)C(=O)NCCCNCCCCNCCCN.
What is the InChIKey of (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(2-methylpropylamino)hexanamide?
The InChIKey is GIPISTCBAXKQKF-IBGZPJMESA-N. The full InChI is InChI=1S/C20H46N6O/c1-18(2)17-25-13-4-3-9-19(22)20(27)26-16-8-15-24-12-6-5-11-23-14-7-10-21/h18-19,23-25H,3-17,21-22H2,1-2H3,(H,26,27)/t19-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(2-methylpropylamino)hexanamide?
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(2-methylpropylamino)hexanamide has a molecular weight of 386.63 g/mol, XLogP of 0.54, 20 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(2-methylpropylamino)hexanamide is sourced from PubChem (CID 88877305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).