N-benzyl-2-dibutylphosphanylethanamine

C17H30NP — CID 139967291

IUPACN-benzyl-2-dibutylphosphanylethanamine
SMILESCCCCP(CCCC)CCNCc1ccccc1
InChIInChI=1S/C17H30NP/c1-3-5-13-19(14-6-4-2)15-12-18-16-17-10-8-7-9-11-17/h7-11,18H,3-6,12-16H2,1-2H3
InChIKeyGDLAPEYRGHZYAD-UHFFFAOYSA-N
MW279.41 g/mol
LogP4.86
Rot. Bonds11

About N-benzyl-2-dibutylphosphanylethanamine

N-benzyl-2-dibutylphosphanylethanamine (PubChem CID 139967291) has the molecular formula C17H30NP and a molecular weight of 279.41 g/mol. Its IUPAC name is N-benzyl-2-dibutylphosphanylethanamine.

Molecular Properties

Compound NameN-benzyl-2-dibutylphosphanylethanamine
PubChem CID139967291
Molecular FormulaC17H30NP
Molecular Weight279.41 g/mol
Exact Mass279.21
IUPAC NameN-benzyl-2-dibutylphosphanylethanamine
SMILESCCCCP(CCCC)CCNCc1ccccc1
InChIInChI=1S/C17H30NP/c1-3-5-13-19(14-6-4-2)15-12-18-16-17-10-8-7-9-11-17/h7-11,18H,3-6,12-16H2,1-2H3
InChIKeyGDLAPEYRGHZYAD-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 54.86
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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Related Compounds

azane;N-benzylbutan-1-amine
CID 175388745
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
N-benzylbutan-1-amine;ethane;ethene
CID 143478756
N-benzylpropan-1-amine;ethane;propane
CID 145164103
N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
CID 104561301
benzyl-butyl-ethylphosphane
CID 54234955
N-benzyl-1-phenylmethanamine;butan-1-amine
CID 174958540
N-benzyl-2-(4-propylphenyl)ethanamine
CID 68807440
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
phenylmethanamine;trioctylphosphane
CID 174278232
N-[(3-phenylphenyl)methyl]butan-1-amine
CID 143730609
N'-benzylethane-1,2-diamine;dihydrochloride
CID 161258578

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-dibutylphosphanylethanamine?
The IUPAC name of N-benzyl-2-dibutylphosphanylethanamine (CID 139967291) is N-benzyl-2-dibutylphosphanylethanamine.
What is the SMILES notation for N-benzyl-2-dibutylphosphanylethanamine?
The canonical SMILES for N-benzyl-2-dibutylphosphanylethanamine is CCCCP(CCCC)CCNCc1ccccc1.
What is the InChIKey of N-benzyl-2-dibutylphosphanylethanamine?
The InChIKey is GDLAPEYRGHZYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30NP/c1-3-5-13-19(14-6-4-2)15-12-18-16-17-10-8-7-9-11-17/h7-11,18H,3-6,12-16H2,1-2H3.
What are the key properties of N-benzyl-2-dibutylphosphanylethanamine?
N-benzyl-2-dibutylphosphanylethanamine has a molecular weight of 279.41 g/mol, XLogP of 4.86, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-dibutylphosphanylethanamine is sourced from PubChem (CID 139967291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).