4-methyl-N,N-bis(4-methyl-2-phosphanyloxypentyl)-2-phosphanyloxypentan-1-amine

C18H42NO3P3 — CID 151635571

IUPAC4-methyl-N,N-bis(4-methyl-2-phosphanyloxypentyl)-2-phosphanyloxypentan-1-amine
SMILESCC(C)CC(CN(CC(CC(C)C)OP)CC(CC(C)C)OP)OP
InChIInChI=1S/C18H42NO3P3/c1-13(2)7-16(20-23)10-19(11-17(21-24)8-14(3)4)12-18(22-25)9-15(5)6/h13-18H,7-12,23-25H2,1-6H3
InChIKeyLPRAIRCXYYNZOV-UHFFFAOYSA-N
MW413.46 g/mol
LogP4.95
Rot. Bonds15

About 4-methyl-N,N-bis(4-methyl-2-phosphanyloxypentyl)-2-phosphanyloxypentan-1-amine

4-methyl-N,N-bis(4-methyl-2-phosphanyloxypentyl)-2-phosphanyloxypentan-1-amine (PubChem CID 151635571) has the molecular formula C18H42NO3P3 and a molecular weight of 413.46 g/mol. Its IUPAC name is 4-methyl-N,N-bis(4-methyl-2-phosphanyloxypentyl)-2-phosphanyloxypentan-1-amine.

Molecular Properties

Compound Name4-methyl-N,N-bis(4-methyl-2-phosphanyloxypentyl)-2-phosphanyloxypentan-1-amine
PubChem CID151635571
Molecular FormulaC18H42NO3P3
Molecular Weight413.46 g/mol
Exact Mass413.24
IUPAC Name4-methyl-N,N-bis(4-methyl-2-phosphanyloxypentyl)-2-phosphanyloxypentan-1-amine
SMILESCC(C)CC(CN(CC(CC(C)C)OP)CC(CC(C)C)OP)OP
InChIInChI=1S/C18H42NO3P3/c1-13(2)7-16(20-23)10-19(11-17(21-24)8-14(3)4)12-18(22-25)9-15(5)6/h13-18H,7-12,23-25H2,1-6H3
InChIKeyLPRAIRCXYYNZOV-UHFFFAOYSA-N
XLogP4.95
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane
CID 18359494
O-(5-methylhexan-3-yl)hydroxylamine
CID 174294741
ethane;3-methoxy-5-methylhexan-1-amine
CID 178106787
alumane;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine
CID 158194503
ethane;2,4,5-trimethylheptane
CID 142268679
(2R)-2-methoxy-N,N-bis[(2R)-2-methoxypropyl]propan-1-amine
CID 137384228
N-(2,6-dimethylheptan-4-yloxy)-N-oxidomethanamine
CID 163968768
CID 88668128
CID 88668128
CID 167440331
CID 167440331
1-N-(2-aminopropyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 18411129
tris(2,6-dimethylheptan-4-yloxy)silane
CID 175859767
2,4-dimethylpentane
CID 157050020

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,N-bis(4-methyl-2-phosphanyloxypentyl)-2-phosphanyloxypentan-1-amine?
The IUPAC name of 4-methyl-N,N-bis(4-methyl-2-phosphanyloxypentyl)-2-phosphanyloxypentan-1-amine (CID 151635571) is 4-methyl-N,N-bis(4-methyl-2-phosphanyloxypentyl)-2-phosphanyloxypentan-1-amine.
What is the SMILES notation for 4-methyl-N,N-bis(4-methyl-2-phosphanyloxypentyl)-2-phosphanyloxypentan-1-amine?
The canonical SMILES for 4-methyl-N,N-bis(4-methyl-2-phosphanyloxypentyl)-2-phosphanyloxypentan-1-amine is CC(C)CC(CN(CC(CC(C)C)OP)CC(CC(C)C)OP)OP.
What is the InChIKey of 4-methyl-N,N-bis(4-methyl-2-phosphanyloxypentyl)-2-phosphanyloxypentan-1-amine?
The InChIKey is LPRAIRCXYYNZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42NO3P3/c1-13(2)7-16(20-23)10-19(11-17(21-24)8-14(3)4)12-18(22-25)9-15(5)6/h13-18H,7-12,23-25H2,1-6H3.
What are the key properties of 4-methyl-N,N-bis(4-methyl-2-phosphanyloxypentyl)-2-phosphanyloxypentan-1-amine?
4-methyl-N,N-bis(4-methyl-2-phosphanyloxypentyl)-2-phosphanyloxypentan-1-amine has a molecular weight of 413.46 g/mol, XLogP of 4.95, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,N-bis(4-methyl-2-phosphanyloxypentyl)-2-phosphanyloxypentan-1-amine is sourced from PubChem (CID 151635571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).