N-(2-ditert-butylphosphanylethyl)propan-1-amine

C13H30NP — CID 58194771

IUPACN-(2-ditert-butylphosphanylethyl)propan-1-amine
SMILESCCCNCCP(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H30NP/c1-8-9-14-10-11-15(12(2,3)4)13(5,6)7/h14H,8-11H2,1-7H3
InChIKeyQJRMDXGIUOYEPP-UHFFFAOYSA-N
MW231.36 g/mol
LogP4.06
Rot. Bonds5

About N-(2-ditert-butylphosphanylethyl)propan-1-amine

N-(2-ditert-butylphosphanylethyl)propan-1-amine (PubChem CID 58194771) has the molecular formula C13H30NP and a molecular weight of 231.36 g/mol. Its IUPAC name is N-(2-ditert-butylphosphanylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-ditert-butylphosphanylethyl)propan-1-amine
PubChem CID58194771
Molecular FormulaC13H30NP
Molecular Weight231.36 g/mol
Exact Mass231.21
IUPAC NameN-(2-ditert-butylphosphanylethyl)propan-1-amine
SMILESCCCNCCP(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H30NP/c1-8-9-14-10-11-15(12(2,3)4)13(5,6)7/h14H,8-11H2,1-7H3
InChIKeyQJRMDXGIUOYEPP-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ditert-butylphosphanylethyl)propan-1-amine?
The IUPAC name of N-(2-ditert-butylphosphanylethyl)propan-1-amine (CID 58194771) is N-(2-ditert-butylphosphanylethyl)propan-1-amine.
What is the SMILES notation for N-(2-ditert-butylphosphanylethyl)propan-1-amine?
The canonical SMILES for N-(2-ditert-butylphosphanylethyl)propan-1-amine is CCCNCCP(C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-(2-ditert-butylphosphanylethyl)propan-1-amine?
The InChIKey is QJRMDXGIUOYEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30NP/c1-8-9-14-10-11-15(12(2,3)4)13(5,6)7/h14H,8-11H2,1-7H3.
What are the key properties of N-(2-ditert-butylphosphanylethyl)propan-1-amine?
N-(2-ditert-butylphosphanylethyl)propan-1-amine has a molecular weight of 231.36 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ditert-butylphosphanylethyl)propan-1-amine is sourced from PubChem (CID 58194771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).