3-methyl-N-[methyl(3-methylbutoxy)phosphoryl]butan-1-amine

C11H26NO2P — CID 148613615

IUPAC3-methyl-N-[methyl(3-methylbutoxy)phosphoryl]butan-1-amine
SMILESCC(C)CCNP(C)(=O)OCCC(C)C
InChIInChI=1S/C11H26NO2P/c1-10(2)6-8-12-15(5,13)14-9-7-11(3)4/h10-11H,6-9H2,1-5H3,(H,12,13)
InChIKeyNEVZGDOGEBUZDZ-UHFFFAOYSA-N
MW235.31 g/mol
LogP3.51
Rot. Bonds8

About 3-methyl-N-[methyl(3-methylbutoxy)phosphoryl]butan-1-amine

3-methyl-N-[methyl(3-methylbutoxy)phosphoryl]butan-1-amine (PubChem CID 148613615) has the molecular formula C11H26NO2P and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-methyl-N-[methyl(3-methylbutoxy)phosphoryl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[methyl(3-methylbutoxy)phosphoryl]butan-1-amine
PubChem CID148613615
Molecular FormulaC11H26NO2P
Molecular Weight235.31 g/mol
Exact Mass235.17
IUPAC Name3-methyl-N-[methyl(3-methylbutoxy)phosphoryl]butan-1-amine
SMILESCC(C)CCNP(C)(=O)OCCC(C)C
InChIInChI=1S/C11H26NO2P/c1-10(2)6-8-12-15(5,13)14-9-7-11(3)4/h10-11H,6-9H2,1-5H3,(H,12,13)
InChIKeyNEVZGDOGEBUZDZ-UHFFFAOYSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azanium 3-methylbutyl dihydrogen phosphate
CID 21149534
1-[ethyl(3-methylbutoxy)phosphoryl]oxy-3-methylbutane
CID 170851032
trimethyl-[methyl(3-methylbutoxy)phosphoryl]oxysilane
CID 91752262
1-[bis(3-methylbutoxy)phosphoryl]-N-[6-[bis(3-methylbutoxy)phosphorylcarbonylamino]hexyl]formamide
CID 131877973
3-methylbutoxy(trifluoromethyl)phosphinic acid
CID 154237685
ethyl 3-[[methyl(propoxy)phosphoryl]amino]propanoate
CID 59020287
tris(3,7,11-trimethyldodecyl) phosphate
CID 54444487
ethane;1-methoxy-3-methylbutane
CID 144580604
N-(2-methoxyethoxy)-3-methylbutan-1-amine
CID 82711034
1-[ethyl(fluoro)phosphoryl]oxy-3,7-dimethyloctane
CID 574791
N-[(1Z)-buta-1,3-dienyl]-3-methylbutan-1-amine
CID 153204423
1-dimethylphosphoryloxy-3-methylpentane
CID 154090861

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[methyl(3-methylbutoxy)phosphoryl]butan-1-amine?
The IUPAC name of 3-methyl-N-[methyl(3-methylbutoxy)phosphoryl]butan-1-amine (CID 148613615) is 3-methyl-N-[methyl(3-methylbutoxy)phosphoryl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-[methyl(3-methylbutoxy)phosphoryl]butan-1-amine?
The canonical SMILES for 3-methyl-N-[methyl(3-methylbutoxy)phosphoryl]butan-1-amine is CC(C)CCNP(C)(=O)OCCC(C)C.
What is the InChIKey of 3-methyl-N-[methyl(3-methylbutoxy)phosphoryl]butan-1-amine?
The InChIKey is NEVZGDOGEBUZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26NO2P/c1-10(2)6-8-12-15(5,13)14-9-7-11(3)4/h10-11H,6-9H2,1-5H3,(H,12,13).
What are the key properties of 3-methyl-N-[methyl(3-methylbutoxy)phosphoryl]butan-1-amine?
3-methyl-N-[methyl(3-methylbutoxy)phosphoryl]butan-1-amine has a molecular weight of 235.31 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[methyl(3-methylbutoxy)phosphoryl]butan-1-amine is sourced from PubChem (CID 148613615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).