1,1-bis(1,2,2,3-tetramethylpiperidin-4-yl)hexane-1,6-diamine

C24H50N4 — CID 69412540

IUPAC1,1-bis(1,2,2,3-tetramethylpiperidin-4-yl)hexane-1,6-diamine
SMILESCC1C(C(N)(CCCCCN)C2CCN(C)C(C)(C)C2C)CCN(C)C1(C)C
InChIInChI=1S/C24H50N4/c1-18-20(12-16-27(7)22(18,3)4)24(26,14-10-9-11-15-25)21-13-17-28(8)23(5,6)19(21)2/h18-21H,9-17,25-26H2,1-8H3
InChIKeyXFVCHSIUXQFXGS-UHFFFAOYSA-N
MW394.69 g/mol
LogP3.94
Rot. Bonds7

About 1,1-bis(1,2,2,3-tetramethylpiperidin-4-yl)hexane-1,6-diamine

1,1-bis(1,2,2,3-tetramethylpiperidin-4-yl)hexane-1,6-diamine (PubChem CID 69412540) has the molecular formula C24H50N4 and a molecular weight of 394.69 g/mol. Its IUPAC name is 1,1-bis(1,2,2,3-tetramethylpiperidin-4-yl)hexane-1,6-diamine.

Molecular Properties

Compound Name1,1-bis(1,2,2,3-tetramethylpiperidin-4-yl)hexane-1,6-diamine
PubChem CID69412540
Molecular FormulaC24H50N4
Molecular Weight394.69 g/mol
Exact Mass394.40
IUPAC Name1,1-bis(1,2,2,3-tetramethylpiperidin-4-yl)hexane-1,6-diamine
SMILESCC1C(C(N)(CCCCCN)C2CCN(C)C(C)(C)C2C)CCN(C)C1(C)C
InChIInChI=1S/C24H50N4/c1-18-20(12-16-27(7)22(18,3)4)24(26,14-10-9-11-15-25)21-13-17-28(8)23(5,6)19(21)2/h18-21H,9-17,25-26H2,1-8H3
InChIKeyXFVCHSIUXQFXGS-UHFFFAOYSA-N
XLogP3.94
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.69
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1,1-bis(1,2,2,3-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
The IUPAC name of 1,1-bis(1,2,2,3-tetramethylpiperidin-4-yl)hexane-1,6-diamine (CID 69412540) is 1,1-bis(1,2,2,3-tetramethylpiperidin-4-yl)hexane-1,6-diamine.
What is the SMILES notation for 1,1-bis(1,2,2,3-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
The canonical SMILES for 1,1-bis(1,2,2,3-tetramethylpiperidin-4-yl)hexane-1,6-diamine is CC1C(C(N)(CCCCCN)C2CCN(C)C(C)(C)C2C)CCN(C)C1(C)C.
What is the InChIKey of 1,1-bis(1,2,2,3-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
The InChIKey is XFVCHSIUXQFXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N4/c1-18-20(12-16-27(7)22(18,3)4)24(26,14-10-9-11-15-25)21-13-17-28(8)23(5,6)19(21)2/h18-21H,9-17,25-26H2,1-8H3.
What are the key properties of 1,1-bis(1,2,2,3-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
1,1-bis(1,2,2,3-tetramethylpiperidin-4-yl)hexane-1,6-diamine has a molecular weight of 394.69 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(1,2,2,3-tetramethylpiperidin-4-yl)hexane-1,6-diamine is sourced from PubChem (CID 69412540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).