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

C19H39N2O2P — CID 21277936

IUPACN-butyl-N-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-1,2,2,6,6-pentamethylpiperidin-4-amine
SMILESCCCCN(C1CC(C)(C)N(C)C(C)(C)C1)P1OCC(C)(C)CO1
InChIInChI=1S/C19H39N2O2P/c1-9-10-11-21(24-22-14-17(2,3)15-23-24)16-12-18(4,5)20(8)19(6,7)13-16/h16H,9-15H2,1-8H3
InChIKeyYKYXCKWAYFHNTQ-UHFFFAOYSA-N
MW358.51 g/mol
LogP5.04
Rot. Bonds5

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

N-butyl-N-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-1,2,2,6,6-pentamethylpiperidin-4-amine (PubChem CID 21277936) has the molecular formula C19H39N2O2P and a molecular weight of 358.51 g/mol. Its IUPAC name is N-butyl-N-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-1,2,2,6,6-pentamethylpiperidin-4-amine.

Molecular Properties

Compound NameN-butyl-N-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-1,2,2,6,6-pentamethylpiperidin-4-amine
PubChem CID21277936
Molecular FormulaC19H39N2O2P
Molecular Weight358.51 g/mol
Exact Mass358.27
IUPAC NameN-butyl-N-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-1,2,2,6,6-pentamethylpiperidin-4-amine
SMILESCCCCN(C1CC(C)(C)N(C)C(C)(C)C1)P1OCC(C)(C)CO1
InChIInChI=1S/C19H39N2O2P/c1-9-10-11-21(24-22-14-17(2,3)15-23-24)16-12-18(4,5)20(8)19(6,7)13-16/h16H,9-15H2,1-8H3
InChIKeyYKYXCKWAYFHNTQ-UHFFFAOYSA-N
XLogP5.04
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.51
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-1,2,2,6,6-pentamethylpiperidin-4-amine?
The IUPAC name of N-butyl-N-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-1,2,2,6,6-pentamethylpiperidin-4-amine (CID 21277936) is N-butyl-N-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-1,2,2,6,6-pentamethylpiperidin-4-amine.
What is the SMILES notation for N-butyl-N-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-1,2,2,6,6-pentamethylpiperidin-4-amine?
The canonical SMILES for N-butyl-N-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-1,2,2,6,6-pentamethylpiperidin-4-amine is CCCCN(C1CC(C)(C)N(C)C(C)(C)C1)P1OCC(C)(C)CO1.
What is the InChIKey of N-butyl-N-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-1,2,2,6,6-pentamethylpiperidin-4-amine?
The InChIKey is YKYXCKWAYFHNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N2O2P/c1-9-10-11-21(24-22-14-17(2,3)15-23-24)16-12-18(4,5)20(8)19(6,7)13-16/h16H,9-15H2,1-8H3.
What are the key properties of N-butyl-N-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-1,2,2,6,6-pentamethylpiperidin-4-amine?
N-butyl-N-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-1,2,2,6,6-pentamethylpiperidin-4-amine has a molecular weight of 358.51 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 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)-1,2,2,6,6-pentamethylpiperidin-4-amine is sourced from PubChem (CID 21277936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).