N',N'-dibutyl-1-[2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hydrazinyl]methanediamine;propan-1-amine

C23H54N6 — CID 144771781

IUPACN',N'-dibutyl-1-[2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hydrazinyl]methanediamine;propan-1-amine
SMILESCCCCN(CCCC)C(N)NN(CC)C1CC(C)(C)NC(C)(C)C1.CCCN
InChIInChI=1S/C20H45N5.C3H9N/c1-8-11-13-24(14-12-9-2)18(21)22-25(10-3)17-15-19(4,5)23-20(6,7)16-17;1-2-3-4/h17-18,22-23H,8-16,21H2,1-7H3;2-4H2,1H3
InChIKeyMFODOUOQEHTQLD-UHFFFAOYSA-N
MW414.73 g/mol
LogP3.62
Rot. Bonds12

About N',N'-dibutyl-1-[2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hydrazinyl]methanediamine;propan-1-amine

N',N'-dibutyl-1-[2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hydrazinyl]methanediamine;propan-1-amine (PubChem CID 144771781) has the molecular formula C23H54N6 and a molecular weight of 414.73 g/mol. Its IUPAC name is N',N'-dibutyl-1-[2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hydrazinyl]methanediamine;propan-1-amine.

Molecular Properties

Compound NameN',N'-dibutyl-1-[2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hydrazinyl]methanediamine;propan-1-amine
PubChem CID144771781
Molecular FormulaC23H54N6
Molecular Weight414.73 g/mol
Exact Mass414.44
IUPAC NameN',N'-dibutyl-1-[2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hydrazinyl]methanediamine;propan-1-amine
SMILESCCCCN(CCCC)C(N)NN(CC)C1CC(C)(C)NC(C)(C)C1.CCCN
InChIInChI=1S/C20H45N5.C3H9N/c1-8-11-13-24(14-12-9-2)18(21)22-25(10-3)17-15-19(4,5)23-20(6,7)16-17;1-2-3-4/h17-18,22-23H,8-16,21H2,1-7H3;2-4H2,1H3
InChIKeyMFODOUOQEHTQLD-UHFFFAOYSA-N
XLogP3.62
TPSA82.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.73
LogP ≤ 53.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-dibutyl-1-[2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hydrazinyl]methanediamine;propan-1-amine?
The IUPAC name of N',N'-dibutyl-1-[2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hydrazinyl]methanediamine;propan-1-amine (CID 144771781) is N',N'-dibutyl-1-[2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hydrazinyl]methanediamine;propan-1-amine.
What is the SMILES notation for N',N'-dibutyl-1-[2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hydrazinyl]methanediamine;propan-1-amine?
The canonical SMILES for N',N'-dibutyl-1-[2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hydrazinyl]methanediamine;propan-1-amine is CCCCN(CCCC)C(N)NN(CC)C1CC(C)(C)NC(C)(C)C1.CCCN.
What is the InChIKey of N',N'-dibutyl-1-[2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hydrazinyl]methanediamine;propan-1-amine?
The InChIKey is MFODOUOQEHTQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H45N5.C3H9N/c1-8-11-13-24(14-12-9-2)18(21)22-25(10-3)17-15-19(4,5)23-20(6,7)16-17;1-2-3-4/h17-18,22-23H,8-16,21H2,1-7H3;2-4H2,1H3.
What are the key properties of N',N'-dibutyl-1-[2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hydrazinyl]methanediamine;propan-1-amine?
N',N'-dibutyl-1-[2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hydrazinyl]methanediamine;propan-1-amine has a molecular weight of 414.73 g/mol, XLogP of 3.62, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibutyl-1-[2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hydrazinyl]methanediamine;propan-1-amine is sourced from PubChem (CID 144771781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).