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

C23H48N4 — CID 139785969

IUPAC1-N,1-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)pentane-1,3-diamine
SMILESCCC(N)CCN(C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H48N4/c1-10-17(24)11-12-27(18-13-20(2,3)25-21(4,5)14-18)19-15-22(6,7)26-23(8,9)16-19/h17-19,25-26H,10-16,24H2,1-9H3
InChIKeyYIWHFLCNIHIQJM-UHFFFAOYSA-N
MW380.67 g/mol
LogP4.03
Rot. Bonds6

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

1-N,1-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)pentane-1,3-diamine (PubChem CID 139785969) has the molecular formula C23H48N4 and a molecular weight of 380.67 g/mol. Its IUPAC name is 1-N,1-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)pentane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)pentane-1,3-diamine
PubChem CID139785969
Molecular FormulaC23H48N4
Molecular Weight380.67 g/mol
Exact Mass380.39
IUPAC Name1-N,1-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)pentane-1,3-diamine
SMILESCCC(N)CCN(C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H48N4/c1-10-17(24)11-12-27(18-13-20(2,3)25-21(4,5)14-18)19-15-22(6,7)26-23(8,9)16-19/h17-19,25-26H,10-16,24H2,1-9H3
InChIKeyYIWHFLCNIHIQJM-UHFFFAOYSA-N
XLogP4.03
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.67
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)pentane-1,3-diamine?
The IUPAC name of 1-N,1-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)pentane-1,3-diamine (CID 139785969) is 1-N,1-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)pentane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)pentane-1,3-diamine?
The canonical SMILES for 1-N,1-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)pentane-1,3-diamine is CCC(N)CCN(C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1-N,1-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)pentane-1,3-diamine?
The InChIKey is YIWHFLCNIHIQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N4/c1-10-17(24)11-12-27(18-13-20(2,3)25-21(4,5)14-18)19-15-22(6,7)26-23(8,9)16-19/h17-19,25-26H,10-16,24H2,1-9H3.
What are the key properties of 1-N,1-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)pentane-1,3-diamine?
1-N,1-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)pentane-1,3-diamine has a molecular weight of 380.67 g/mol, XLogP of 4.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)pentane-1,3-diamine is sourced from PubChem (CID 139785969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).