2-[1-(3-aminopropylamino)propan-2-yliminomethylideneamino]-2-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propanimidamide

C20H41N7 — CID 176523114

IUPAC2-[1-(3-aminopropylamino)propan-2-yliminomethylideneamino]-2-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propanimidamide
SMILESCC(CNCCCN)N=C=NC(C)(C)/C(N)=N/C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C20H41N7/c1-15(13-23-10-8-9-21)24-14-25-20(6,7)17(22)26-16-11-18(2,3)27-19(4,5)12-16/h15-16,23,27H,8-13,21H2,1-7H3,(H2,22,26)
InChIKeyRHBGSZFUJOGWPP-UHFFFAOYSA-N
MW379.60 g/mol
LogP1.93
Rot. Bonds9

About 2-[1-(3-aminopropylamino)propan-2-yliminomethylideneamino]-2-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propanimidamide

2-[1-(3-aminopropylamino)propan-2-yliminomethylideneamino]-2-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propanimidamide (PubChem CID 176523114) has the molecular formula C20H41N7 and a molecular weight of 379.60 g/mol. Its IUPAC name is 2-[1-(3-aminopropylamino)propan-2-yliminomethylideneamino]-2-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propanimidamide.

Molecular Properties

Compound Name2-[1-(3-aminopropylamino)propan-2-yliminomethylideneamino]-2-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propanimidamide
PubChem CID176523114
Molecular FormulaC20H41N7
Molecular Weight379.60 g/mol
Exact Mass379.34
IUPAC Name2-[1-(3-aminopropylamino)propan-2-yliminomethylideneamino]-2-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propanimidamide
SMILESCC(CNCCCN)N=C=NC(C)(C)/C(N)=N/C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C20H41N7/c1-15(13-23-10-8-9-21)24-14-25-20(6,7)17(22)26-16-11-18(2,3)27-19(4,5)12-16/h15-16,23,27H,8-13,21H2,1-7H3,(H2,22,26)
InChIKeyRHBGSZFUJOGWPP-UHFFFAOYSA-N
XLogP1.93
TPSA113.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.60
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-aminopropylamino)propan-2-yliminomethylideneamino]-2-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propanimidamide?
The IUPAC name of 2-[1-(3-aminopropylamino)propan-2-yliminomethylideneamino]-2-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propanimidamide (CID 176523114) is 2-[1-(3-aminopropylamino)propan-2-yliminomethylideneamino]-2-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propanimidamide.
What is the SMILES notation for 2-[1-(3-aminopropylamino)propan-2-yliminomethylideneamino]-2-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propanimidamide?
The canonical SMILES for 2-[1-(3-aminopropylamino)propan-2-yliminomethylideneamino]-2-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propanimidamide is CC(CNCCCN)N=C=NC(C)(C)/C(N)=N/C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-[1-(3-aminopropylamino)propan-2-yliminomethylideneamino]-2-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propanimidamide?
The InChIKey is RHBGSZFUJOGWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N7/c1-15(13-23-10-8-9-21)24-14-25-20(6,7)17(22)26-16-11-18(2,3)27-19(4,5)12-16/h15-16,23,27H,8-13,21H2,1-7H3,(H2,22,26).
What are the key properties of 2-[1-(3-aminopropylamino)propan-2-yliminomethylideneamino]-2-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propanimidamide?
2-[1-(3-aminopropylamino)propan-2-yliminomethylideneamino]-2-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propanimidamide has a molecular weight of 379.60 g/mol, XLogP of 1.93, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-aminopropylamino)propan-2-yliminomethylideneamino]-2-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propanimidamide is sourced from PubChem (CID 176523114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).