N-[methyl(3-methylbutoxy)phosphanyl]-N-propan-2-ylpropan-2-amine

C12H28NOP — CID 139428185

IUPACN-[methyl(3-methylbutoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)CCOP(C)N(C(C)C)C(C)C
InChIInChI=1S/C12H28NOP/c1-10(2)8-9-14-15(7)13(11(3)4)12(5)6/h10-12H,8-9H2,1-7H3
InChIKeyZNUHVAKVAMXLHW-UHFFFAOYSA-N
MW233.34 g/mol
LogP4.11
Rot. Bonds7

About N-[methyl(3-methylbutoxy)phosphanyl]-N-propan-2-ylpropan-2-amine

N-[methyl(3-methylbutoxy)phosphanyl]-N-propan-2-ylpropan-2-amine (PubChem CID 139428185) has the molecular formula C12H28NOP and a molecular weight of 233.34 g/mol. Its IUPAC name is N-[methyl(3-methylbutoxy)phosphanyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[methyl(3-methylbutoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
PubChem CID139428185
Molecular FormulaC12H28NOP
Molecular Weight233.34 g/mol
Exact Mass233.19
IUPAC NameN-[methyl(3-methylbutoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)CCOP(C)N(C(C)C)C(C)C
InChIInChI=1S/C12H28NOP/c1-10(2)8-9-14-15(7)13(11(3)4)12(5)6/h10-12H,8-9H2,1-7H3
InChIKeyZNUHVAKVAMXLHW-UHFFFAOYSA-N
XLogP4.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[methyl(15-tritiopentadecoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 159345248
3-methylbutyl hypobromite
CID 141146646
N-[4-[[di(propan-2-yl)amino]-methylphosphanyl]oxybutyl]-2,2,2-trifluoroacetamide;methane
CID 158284909
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
N-(3-methylbutoxyphosphanyl)-N-propan-2-ylpropan-2-amine
CID 129227904
3-[[di(propan-2-yl)amino]-[3-methyl-3-(3-methylbutoxy)butoxy]phosphanyl]oxypropanenitrile;ethane
CID 170645688
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143
CID 148792664
CID 148792664
3-methylbutoxygallane
CID 174485666
ethane;1-methoxy-3-methylbutane
CID 144580604
3-methylbutoxysilane
CID 123427672

Frequently Asked Questions

What is the IUPAC name of N-[methyl(3-methylbutoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[methyl(3-methylbutoxy)phosphanyl]-N-propan-2-ylpropan-2-amine (CID 139428185) is N-[methyl(3-methylbutoxy)phosphanyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[methyl(3-methylbutoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[methyl(3-methylbutoxy)phosphanyl]-N-propan-2-ylpropan-2-amine is CC(C)CCOP(C)N(C(C)C)C(C)C.
What is the InChIKey of N-[methyl(3-methylbutoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is ZNUHVAKVAMXLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28NOP/c1-10(2)8-9-14-15(7)13(11(3)4)12(5)6/h10-12H,8-9H2,1-7H3.
What are the key properties of N-[methyl(3-methylbutoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
N-[methyl(3-methylbutoxy)phosphanyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 233.34 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methyl(3-methylbutoxy)phosphanyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 139428185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).