N'-[2-(6-aminohexylamino)ethyl]-N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine

C76H156N12 — CID 88787024

IUPACN'-[2-(6-aminohexylamino)ethyl]-N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine
SMILESCC1(C)CC(N(C2CC(C)(C)NC(C)(C)C2)C(CCCCCNCCNCCCCCCN)(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CN1C(C)(C)CC(NCCCCCCNC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C50H102N8.C26H54N4/c1-42(2)30-38(31-43(3,4)54-42)50(39-32-44(5,6)55-45(7,8)33-39,24-20-19-23-27-53-29-28-52-26-22-18-17-21-25-51)58(40-34-46(9,10)56-47(11,12)35-40)41-36-48(13,14)57-49(15,16)37-41;1-23(2)17-21(18-24(3,4)29(23)9)27-15-13-11-12-14-16-28-22-19-25(5,6)30(10)26(7,8)20-22/h38-41,52-57H,17-37,51H2,1-16H3;21-22,27-28H,11-20H2,1-10H3
InChIKeyJVOALFUZNOXFNY-UHFFFAOYSA-N
MW1238.17 g/mol
LogP14.05
Rot. Bonds29

About N'-[2-(6-aminohexylamino)ethyl]-N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine

N'-[2-(6-aminohexylamino)ethyl]-N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine (PubChem CID 88787024) has the molecular formula C76H156N12 and a molecular weight of 1238.17 g/mol. Its IUPAC name is N'-[2-(6-aminohexylamino)ethyl]-N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-[2-(6-aminohexylamino)ethyl]-N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine
PubChem CID88787024
Molecular FormulaC76H156N12
Molecular Weight1238.17 g/mol
Exact Mass1237.26
IUPAC NameN'-[2-(6-aminohexylamino)ethyl]-N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine
SMILESCC1(C)CC(N(C2CC(C)(C)NC(C)(C)C2)C(CCCCCNCCNCCCCCCN)(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CN1C(C)(C)CC(NCCCCCCNC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C50H102N8.C26H54N4/c1-42(2)30-38(31-43(3,4)54-42)50(39-32-44(5,6)55-45(7,8)33-39,24-20-19-23-27-53-29-28-52-26-22-18-17-21-25-51)58(40-34-46(9,10)56-47(11,12)35-40)41-36-48(13,14)57-49(15,16)37-41;1-23(2)17-21(18-24(3,4)29(23)9)27-15-13-11-12-14-16-28-22-19-25(5,6)30(10)26(7,8)20-22/h38-41,52-57H,17-37,51H2,1-16H3;21-22,27-28H,11-20H2,1-10H3
InChIKeyJVOALFUZNOXFNY-UHFFFAOYSA-N
XLogP14.05
TPSA131.98 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds29
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001238.17
LogP ≤ 514.05
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N'-[2-(6-aminohexylamino)ethyl]-N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(6-aminohexylamino)ethyl]-N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine?
The IUPAC name of N'-[2-(6-aminohexylamino)ethyl]-N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine (CID 88787024) is N'-[2-(6-aminohexylamino)ethyl]-N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine.
What is the SMILES notation for N'-[2-(6-aminohexylamino)ethyl]-N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine?
The canonical SMILES for N'-[2-(6-aminohexylamino)ethyl]-N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine is CC1(C)CC(N(C2CC(C)(C)NC(C)(C)C2)C(CCCCCNCCNCCCCCCN)(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CN1C(C)(C)CC(NCCCCCCNC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of N'-[2-(6-aminohexylamino)ethyl]-N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine?
The InChIKey is JVOALFUZNOXFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H102N8.C26H54N4/c1-42(2)30-38(31-43(3,4)54-42)50(39-32-44(5,6)55-45(7,8)33-39,24-20-19-23-27-53-29-28-52-26-22-18-17-21-25-51)58(40-34-46(9,10)56-47(11,12)35-40)41-36-48(13,14)57-49(15,16)37-41;1-23(2)17-21(18-24(3,4)29(23)9)27-15-13-11-12-14-16-28-22-19-25(5,6)30(10)26(7,8)20-22/h38-41,52-57H,17-37,51H2,1-16H3;21-22,27-28H,11-20H2,1-10H3.
What are the key properties of N'-[2-(6-aminohexylamino)ethyl]-N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine?
N'-[2-(6-aminohexylamino)ethyl]-N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine has a molecular weight of 1238.17 g/mol, XLogP of 14.05, 29 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(6-aminohexylamino)ethyl]-N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine is sourced from PubChem (CID 88787024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).