N'-[2-[2-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethylamino]ethyl]ethane-1,2-diamine

C26H56N6 — CID 67692079

IUPACN'-[2-[2-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethylamino]ethyl]ethane-1,2-diamine
SMILESCN1C(C)(C)CC(N(CCNCCNCCN)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C26H56N6/c1-23(2)17-21(18-24(3,4)30(23)9)32(16-15-29-14-13-28-12-11-27)22-19-25(5,6)31(10)26(7,8)20-22/h21-22,28-29H,11-20,27H2,1-10H3
InChIKeyAMHVARNTDABQLS-UHFFFAOYSA-N
MW452.78 g/mol
LogP2.73
Rot. Bonds10

About N'-[2-[2-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethylamino]ethyl]ethane-1,2-diamine

N'-[2-[2-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethylamino]ethyl]ethane-1,2-diamine (PubChem CID 67692079) has the molecular formula C26H56N6 and a molecular weight of 452.78 g/mol. Its IUPAC name is N'-[2-[2-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethylamino]ethyl]ethane-1,2-diamine
PubChem CID67692079
Molecular FormulaC26H56N6
Molecular Weight452.78 g/mol
Exact Mass452.46
IUPAC NameN'-[2-[2-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethylamino]ethyl]ethane-1,2-diamine
SMILESCN1C(C)(C)CC(N(CCNCCNCCN)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C26H56N6/c1-23(2)17-21(18-24(3,4)30(23)9)32(16-15-29-14-13-28-12-11-27)22-19-25(5,6)31(10)26(7,8)20-22/h21-22,28-29H,11-20,27H2,1-10H3
InChIKeyAMHVARNTDABQLS-UHFFFAOYSA-N
XLogP2.73
TPSA59.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.78
LogP ≤ 52.73
H-Bond Donors ≤ 53
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 N'-[2-[2-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethylamino]ethyl]ethane-1,2-diamine (CID 67692079) is N'-[2-[2-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethylamino]ethyl]ethane-1,2-diamine is CN1C(C)(C)CC(N(CCNCCNCCN)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of N'-[2-[2-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethylamino]ethyl]ethane-1,2-diamine?
The InChIKey is AMHVARNTDABQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56N6/c1-23(2)17-21(18-24(3,4)30(23)9)32(16-15-29-14-13-28-12-11-27)22-19-25(5,6)31(10)26(7,8)20-22/h21-22,28-29H,11-20,27H2,1-10H3.
What are the key properties of N'-[2-[2-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethylamino]ethyl]ethane-1,2-diamine?
N'-[2-[2-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethylamino]ethyl]ethane-1,2-diamine has a molecular weight of 452.78 g/mol, XLogP of 2.73, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 67692079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).