N-butyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine

C9H20NO3P — CID 10489160

IUPACN-butyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine
SMILESCCCCNP1(=O)OCC(C)(C)CO1
InChIInChI=1S/C9H20NO3P/c1-4-5-6-10-14(11)12-7-9(2,3)8-13-14/h4-8H2,1-3H3,(H,10,11)
InChIKeyPLAKLMBJMJASMW-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.56
Rot. Bonds4

About N-butyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine

N-butyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine (PubChem CID 10489160) has the molecular formula C9H20NO3P and a molecular weight of 221.24 g/mol. Its IUPAC name is N-butyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine.

Molecular Properties

Compound NameN-butyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine
PubChem CID10489160
Molecular FormulaC9H20NO3P
Molecular Weight221.24 g/mol
Exact Mass221.12
IUPAC NameN-butyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine
SMILESCCCCNP1(=O)OCC(C)(C)CO1
InChIInChI=1S/C9H20NO3P/c1-4-5-6-10-14(11)12-7-9(2,3)8-13-14/h4-8H2,1-3H3,(H,10,11)
InChIKeyPLAKLMBJMJASMW-UHFFFAOYSA-N
XLogP2.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

5,5-dimethyl-N-octadec-9-enyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine
CID 3085466
N-butyl-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-amine
CID 70524620
bis(N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)butane-1,4-diamine);N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)ethane-1,2-diamine;N,N'-bis(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-methylethane-1,2-diamine;N'-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N-(6,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphocan-2-yl)ethane-1,2-diamine;N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N'-(5-ethyl-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanediamine
CID 167590116
N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)formamide
CID 71372379
2-tert-butyl-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 23261978
(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol
CID 18981617
1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N,N-bis[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]methanamine
CID 102064719
5,5-dimethyl-2-(methylsulfanylmethyl)-1,3,2λ5-dioxaphosphinane 2-oxide
CID 23415598
2,2,3,4,4-pentamethyl-N-octyl-1-oxo-1λ5-phosphetan-1-amine
CID 10803227
2-[2-[bis(3-methylheptan-3-yloxy)phosphoryl]propan-2-yloxy]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 90814948
N-(fluoren-9-ylidenemethyl)-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine
CID 134934636
2-methyl-2-pentyloxirane
CID 559073

Frequently Asked Questions

What is the IUPAC name of N-butyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine?
The IUPAC name of N-butyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine (CID 10489160) is N-butyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine.
What is the SMILES notation for N-butyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine?
The canonical SMILES for N-butyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine is CCCCNP1(=O)OCC(C)(C)CO1.
What is the InChIKey of N-butyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine?
The InChIKey is PLAKLMBJMJASMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO3P/c1-4-5-6-10-14(11)12-7-9(2,3)8-13-14/h4-8H2,1-3H3,(H,10,11).
What are the key properties of N-butyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine?
N-butyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine has a molecular weight of 221.24 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine is sourced from PubChem (CID 10489160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).