N-ditert-butylphosphorylethanamine

C10H24NOP — CID 15212258

IUPACN-ditert-butylphosphorylethanamine
SMILESCCNP(=O)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H24NOP/c1-8-11-13(12,9(2,3)4)10(5,6)7/h8H2,1-7H3,(H,11,12)
InChIKeyYUFZMSQLHGHMIO-UHFFFAOYSA-N
MW205.28 g/mol
LogP3.47
Rot. Bonds2

About N-ditert-butylphosphorylethanamine

N-ditert-butylphosphorylethanamine (PubChem CID 15212258) has the molecular formula C10H24NOP and a molecular weight of 205.28 g/mol. Its IUPAC name is N-ditert-butylphosphorylethanamine.

Molecular Properties

Compound NameN-ditert-butylphosphorylethanamine
PubChem CID15212258
Molecular FormulaC10H24NOP
Molecular Weight205.28 g/mol
Exact Mass205.16
IUPAC NameN-ditert-butylphosphorylethanamine
SMILESCCNP(=O)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H24NOP/c1-8-11-13(12,9(2,3)4)10(5,6)7/h8H2,1-7H3,(H,11,12)
InChIKeyYUFZMSQLHGHMIO-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ditert-butylphosphorylethanamine?
The IUPAC name of N-ditert-butylphosphorylethanamine (CID 15212258) is N-ditert-butylphosphorylethanamine.
What is the SMILES notation for N-ditert-butylphosphorylethanamine?
The canonical SMILES for N-ditert-butylphosphorylethanamine is CCNP(=O)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-ditert-butylphosphorylethanamine?
The InChIKey is YUFZMSQLHGHMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NOP/c1-8-11-13(12,9(2,3)4)10(5,6)7/h8H2,1-7H3,(H,11,12).
What are the key properties of N-ditert-butylphosphorylethanamine?
N-ditert-butylphosphorylethanamine has a molecular weight of 205.28 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ditert-butylphosphorylethanamine is sourced from PubChem (CID 15212258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).