N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,4-diamine

C22H46N4 — CID 19704415

IUPACN,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,4-diamine
SMILESCC1(C)CC(NCCCCNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C22H46N4/c1-19(2)13-17(14-20(3,4)25-19)23-11-9-10-12-24-18-15-21(5,6)26-22(7,8)16-18/h17-18,23-26H,9-16H2,1-8H3
InChIKeyRSSWSQFCXWNGPS-UHFFFAOYSA-N
MW366.64 g/mol
LogP3.56
Rot. Bonds7

About N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,4-diamine

N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,4-diamine (PubChem CID 19704415) has the molecular formula C22H46N4 and a molecular weight of 366.64 g/mol. Its IUPAC name is N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,4-diamine
PubChem CID19704415
Molecular FormulaC22H46N4
Molecular Weight366.64 g/mol
Exact Mass366.37
IUPAC NameN,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,4-diamine
SMILESCC1(C)CC(NCCCCNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C22H46N4/c1-19(2)13-17(14-20(3,4)25-19)23-11-9-10-12-24-18-15-21(5,6)26-22(7,8)16-18/h17-18,23-26H,9-16H2,1-8H3
InChIKeyRSSWSQFCXWNGPS-UHFFFAOYSA-N
XLogP3.56
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.64
LogP ≤ 53.56
H-Bond Donors ≤ 54
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 N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,4-diamine?
The IUPAC name of N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,4-diamine (CID 19704415) is N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,4-diamine.
What is the SMILES notation for N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,4-diamine?
The canonical SMILES for N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,4-diamine is CC1(C)CC(NCCCCNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,4-diamine?
The InChIKey is RSSWSQFCXWNGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N4/c1-19(2)13-17(14-20(3,4)25-19)23-11-9-10-12-24-18-15-21(5,6)26-22(7,8)16-18/h17-18,23-26H,9-16H2,1-8H3.
What are the key properties of N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,4-diamine?
N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,4-diamine has a molecular weight of 366.64 g/mol, XLogP of 3.56, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,4-diamine is sourced from PubChem (CID 19704415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).