6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

C37H75N11 — CID 18008716

IUPAC6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCCN(c1nc(C(N)CCNCCNCCCN)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C37H75N11/c1-11-13-22-47(28-24-34(3,4)45-35(5,6)25-28)32-42-31(30(39)16-19-41-21-20-40-18-15-17-38)43-33(44-32)48(23-14-12-2)29-26-36(7,8)46-37(9,10)27-29/h28-30,40-41,45-46H,11-27,38-39H2,1-10H3
InChIKeyQFESFLLLFJIGHU-UHFFFAOYSA-N
MW674.08 g/mol
LogP4.62
Rot. Bonds20

About 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 18008716) has the molecular formula C37H75N11 and a molecular weight of 674.08 g/mol. Its IUPAC name is 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID18008716
Molecular FormulaC37H75N11
Molecular Weight674.08 g/mol
Exact Mass673.62
IUPAC Name6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCCN(c1nc(C(N)CCNCCNCCCN)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C37H75N11/c1-11-13-22-47(28-24-34(3,4)45-35(5,6)25-28)32-42-31(30(39)16-19-41-21-20-40-18-15-17-38)43-33(44-32)48(23-14-12-2)29-26-36(7,8)46-37(9,10)27-29/h28-30,40-41,45-46H,11-27,38-39H2,1-10H3
InChIKeyQFESFLLLFJIGHU-UHFFFAOYSA-N
XLogP4.62
TPSA145.31 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500674.08
LogP ≤ 54.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

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 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (CID 18008716) is 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is CCCCN(c1nc(C(N)CCNCCNCCCN)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is QFESFLLLFJIGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H75N11/c1-11-13-22-47(28-24-34(3,4)45-35(5,6)25-28)32-42-31(30(39)16-19-41-21-20-40-18-15-17-38)43-33(44-32)48(23-14-12-2)29-26-36(7,8)46-37(9,10)27-29/h28-30,40-41,45-46H,11-27,38-39H2,1-10H3.
What are the key properties of 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 674.08 g/mol, XLogP of 4.62, 20 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-amino-3-[2-(3-aminopropylamino)ethylamino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18008716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).