2,7-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptanimidamide

C27H56N6 — CID 160974780

IUPAC2,7-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptanimidamide
SMILES[H]/N=C(\N)C(CCCCCN(C)C1CC(C)(C)NC(C)(C)C1)N(C)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C27H56N6/c1-24(2)16-20(17-25(3,4)30-24)32(9)15-13-11-12-14-22(23(28)29)33(10)21-18-26(5,6)31-27(7,8)19-21/h20-22,30-31H,11-19H2,1-10H3,(H3,28,29)
InChIKeySYSGPQWGSAHJTP-UHFFFAOYSA-N
MW464.79 g/mol
LogP4.33
Rot. Bonds10

About 2,7-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptanimidamide

2,7-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptanimidamide (PubChem CID 160974780) has the molecular formula C27H56N6 and a molecular weight of 464.79 g/mol. Its IUPAC name is 2,7-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptanimidamide.

Molecular Properties

Compound Name2,7-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptanimidamide
PubChem CID160974780
Molecular FormulaC27H56N6
Molecular Weight464.79 g/mol
Exact Mass464.46
IUPAC Name2,7-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptanimidamide
SMILES[H]/N=C(\N)C(CCCCCN(C)C1CC(C)(C)NC(C)(C)C1)N(C)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C27H56N6/c1-24(2)16-20(17-25(3,4)30-24)32(9)15-13-11-12-14-22(23(28)29)33(10)21-18-26(5,6)31-27(7,8)19-21/h20-22,30-31H,11-19H2,1-10H3,(H3,28,29)
InChIKeySYSGPQWGSAHJTP-UHFFFAOYSA-N
XLogP4.33
TPSA80.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.79
LogP ≤ 54.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

CID 21667245
CID 21667245
CID 141927603
CID 141927603
CID 151089009
CID 151089009
CID 176523114
CID 176523114
CID 107912514
CID 107912514
CID 141927604
CID 141927604

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptanimidamide?
The IUPAC name of 2,7-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptanimidamide (CID 160974780) is 2,7-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptanimidamide.
What is the SMILES notation for 2,7-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptanimidamide?
The canonical SMILES for 2,7-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptanimidamide is [H]/N=C(\N)C(CCCCCN(C)C1CC(C)(C)NC(C)(C)C1)N(C)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2,7-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptanimidamide?
The InChIKey is SYSGPQWGSAHJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56N6/c1-24(2)16-20(17-25(3,4)30-24)32(9)15-13-11-12-14-22(23(28)29)33(10)21-18-26(5,6)31-27(7,8)19-21/h20-22,30-31H,11-19H2,1-10H3,(H3,28,29).
What are the key properties of 2,7-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptanimidamide?
2,7-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptanimidamide has a molecular weight of 464.79 g/mol, XLogP of 4.33, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]heptanimidamide is sourced from PubChem (CID 160974780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).