N,N-di(propan-2-yl)-5-(2,4,6-trioxo-4,6-dipropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)pentan-1-amine

C17H38NO6P3 — CID 135291805

IUPACN,N-di(propan-2-yl)-5-(2,4,6-trioxo-4,6-dipropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)pentan-1-amine
SMILESCCCP1(=O)OP(=O)(CCC)OP(=O)(CCCCCN(C(C)C)C(C)C)O1
InChIInChI=1S/C17H38NO6P3/c1-7-13-25(19)22-26(20,14-8-2)24-27(21,23-25)15-11-9-10-12-18(16(3)4)17(5)6/h16-17H,7-15H2,1-6H3
InChIKeyRQRVYNHJPYVUNS-UHFFFAOYSA-N
MW445.41 g/mol
LogP6.74
Rot. Bonds12

About N,N-di(propan-2-yl)-5-(2,4,6-trioxo-4,6-dipropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)pentan-1-amine

N,N-di(propan-2-yl)-5-(2,4,6-trioxo-4,6-dipropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)pentan-1-amine (PubChem CID 135291805) has the molecular formula C17H38NO6P3 and a molecular weight of 445.41 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-5-(2,4,6-trioxo-4,6-dipropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)pentan-1-amine.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-5-(2,4,6-trioxo-4,6-dipropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)pentan-1-amine
PubChem CID135291805
Molecular FormulaC17H38NO6P3
Molecular Weight445.41 g/mol
Exact Mass445.19
IUPAC NameN,N-di(propan-2-yl)-5-(2,4,6-trioxo-4,6-dipropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)pentan-1-amine
SMILESCCCP1(=O)OP(=O)(CCC)OP(=O)(CCCCCN(C(C)C)C(C)C)O1
InChIInChI=1S/C17H38NO6P3/c1-7-13-25(19)22-26(20,14-8-2)24-27(21,23-25)15-11-9-10-12-18(16(3)4)17(5)6/h16-17H,7-15H2,1-6H3
InChIKeyRQRVYNHJPYVUNS-UHFFFAOYSA-N
XLogP6.74
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.41
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N,N-di(propan-2-yl)-5-(2,4,6-trioxo-4,6-dipropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-di(propan-2-yl)heptadecan-1-amine
CID 138744995
2,4-diethyl-6-propyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
CID 166945501
N,N-di(propan-2-yl)butan-1-amine
CID 11062646
N,N-dibutyl-N',N'-di(propan-2-yl)tetradecane-1,14-diamine
CID 91807307
N',N'-di(propan-2-yl)butane-1,4-diamine
CID 15365351
6-[di(propan-2-yl)amino]hexanenitrile
CID 151784240
2-methyl-3-N-pentyl-3-N-propan-2-ylbutane-1,3-diamine
CID 79409903
4,4,4-trifluoro-3-N-pentyl-3-N-propan-2-ylbutane-1,3-diamine
CID 55001955
6-N-ethyl-1-N,1-N-di(propan-2-yl)octane-1,6-diamine
CID 173351469
3-[di(propan-2-yl)amino]propyl carbamate
CID 175431360
N'-butan-2-yl-N'-propan-2-ylpropane-1,3-diamine
CID 43137443
3-[3-[di(propan-2-yl)amino]propyl-ethylindiganyl]-N,N-di(propan-2-yl)propan-1-amine
CID 171588709

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-5-(2,4,6-trioxo-4,6-dipropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)pentan-1-amine?
The IUPAC name of N,N-di(propan-2-yl)-5-(2,4,6-trioxo-4,6-dipropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)pentan-1-amine (CID 135291805) is N,N-di(propan-2-yl)-5-(2,4,6-trioxo-4,6-dipropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)pentan-1-amine.
What is the SMILES notation for N,N-di(propan-2-yl)-5-(2,4,6-trioxo-4,6-dipropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)pentan-1-amine?
The canonical SMILES for N,N-di(propan-2-yl)-5-(2,4,6-trioxo-4,6-dipropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)pentan-1-amine is CCCP1(=O)OP(=O)(CCC)OP(=O)(CCCCCN(C(C)C)C(C)C)O1.
What is the InChIKey of N,N-di(propan-2-yl)-5-(2,4,6-trioxo-4,6-dipropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)pentan-1-amine?
The InChIKey is RQRVYNHJPYVUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38NO6P3/c1-7-13-25(19)22-26(20,14-8-2)24-27(21,23-25)15-11-9-10-12-18(16(3)4)17(5)6/h16-17H,7-15H2,1-6H3.
What are the key properties of N,N-di(propan-2-yl)-5-(2,4,6-trioxo-4,6-dipropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)pentan-1-amine?
N,N-di(propan-2-yl)-5-(2,4,6-trioxo-4,6-dipropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)pentan-1-amine has a molecular weight of 445.41 g/mol, XLogP of 6.74, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-5-(2,4,6-trioxo-4,6-dipropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)pentan-1-amine is sourced from PubChem (CID 135291805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).