N-butyl-N-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine

C18H37N2O2P — CID 21277974

IUPACN-butyl-N-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCCCCN(C1CC(C)(C)NC(C)(C)C1)P1OCC(C)(C)CO1
InChIInChI=1S/C18H37N2O2P/c1-8-9-10-20(23-21-13-16(2,3)14-22-23)15-11-17(4,5)19-18(6,7)12-15/h15,19H,8-14H2,1-7H3
InChIKeyYGSWHLCTTDZHHG-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.70
Rot. Bonds5

About N-butyl-N-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine

N-butyl-N-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine (PubChem CID 21277974) has the molecular formula C18H37N2O2P and a molecular weight of 344.48 g/mol. Its IUPAC name is N-butyl-N-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine.

Molecular Properties

Compound NameN-butyl-N-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine
PubChem CID21277974
Molecular FormulaC18H37N2O2P
Molecular Weight344.48 g/mol
Exact Mass344.26
IUPAC NameN-butyl-N-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCCCCN(C1CC(C)(C)NC(C)(C)C1)P1OCC(C)(C)CO1
InChIInChI=1S/C18H37N2O2P/c1-8-9-10-20(23-21-13-16(2,3)14-22-23)15-11-17(4,5)19-18(6,7)12-15/h15,19H,8-14H2,1-7H3
InChIKeyYGSWHLCTTDZHHG-UHFFFAOYSA-N
XLogP4.70
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-1,2,2,6,6-pentamethylpiperidin-4-amine
CID 21277936
N,N'-bis(5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinan-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
CID 21277959
N-methyl-N'-(4-methyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(4-methyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine
CID 88626896
2-N,4-N,6-N,6-N-tetrabutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 57125933
N-butyl-N,2,2,6-tetramethylpiperidin-4-amine
CID 129043618
N-[6-[heptanoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)heptanamide
CID 18998994
N',N'-dibutyl-1-[2-ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)hydrazinyl]methanediamine;propan-1-amine
CID 144771781
2-N,4-N-dibutyl-6-[[propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 58038481
N-butyl-2,2,6,6-tetramethyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine
CID 126841662
N-butyl-4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine
CID 88600490
(2,5-dimethyloxolan-3-yl) N-butyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate
CID 70400915
2-[2-hydroxyethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethanol
CID 14984990

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine?
The IUPAC name of N-butyl-N-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine (CID 21277974) is N-butyl-N-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine.
What is the SMILES notation for N-butyl-N-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine?
The canonical SMILES for N-butyl-N-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine is CCCCN(C1CC(C)(C)NC(C)(C)C1)P1OCC(C)(C)CO1.
What is the InChIKey of N-butyl-N-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine?
The InChIKey is YGSWHLCTTDZHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N2O2P/c1-8-9-10-20(23-21-13-16(2,3)14-22-23)15-11-17(4,5)19-18(6,7)12-15/h15,19H,8-14H2,1-7H3.
What are the key properties of N-butyl-N-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine?
N-butyl-N-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine has a molecular weight of 344.48 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine is sourced from PubChem (CID 21277974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).