N-ethylbut-3-yn-1-amine;phosphane

C6H14NP — CID 143703444

IUPACN-ethylbut-3-yn-1-amine;phosphane
SMILESC#CCCNCC.P
InChIInChI=1S/C6H11N.H3P/c1-3-5-6-7-4-2;/h1,7H,4-6H2,2H3;1H3
InChIKeyAEGMAFYVPFTWCW-UHFFFAOYSA-N
MW131.16 g/mol
LogP0.68
Rot. Bonds3

About N-ethylbut-3-yn-1-amine;phosphane

N-ethylbut-3-yn-1-amine;phosphane (PubChem CID 143703444) has the molecular formula C6H14NP and a molecular weight of 131.16 g/mol. Its IUPAC name is N-ethylbut-3-yn-1-amine;phosphane.

Molecular Properties

Compound NameN-ethylbut-3-yn-1-amine;phosphane
PubChem CID143703444
Molecular FormulaC6H14NP
Molecular Weight131.16 g/mol
Exact Mass131.09
IUPAC NameN-ethylbut-3-yn-1-amine;phosphane
SMILESC#CCCNCC.P
InChIInChI=1S/C6H11N.H3P/c1-3-5-6-7-4-2;/h1,7H,4-6H2,2H3;1H3
InChIKeyAEGMAFYVPFTWCW-UHFFFAOYSA-N
XLogP0.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.16
LogP ≤ 50.68
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethylbut-3-yn-1-amine;phosphane?
The IUPAC name of N-ethylbut-3-yn-1-amine;phosphane (CID 143703444) is N-ethylbut-3-yn-1-amine;phosphane.
What is the SMILES notation for N-ethylbut-3-yn-1-amine;phosphane?
The canonical SMILES for N-ethylbut-3-yn-1-amine;phosphane is C#CCCNCC.P.
What is the InChIKey of N-ethylbut-3-yn-1-amine;phosphane?
The InChIKey is AEGMAFYVPFTWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.H3P/c1-3-5-6-7-4-2;/h1,7H,4-6H2,2H3;1H3.
What are the key properties of N-ethylbut-3-yn-1-amine;phosphane?
N-ethylbut-3-yn-1-amine;phosphane has a molecular weight of 131.16 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylbut-3-yn-1-amine;phosphane is sourced from PubChem (CID 143703444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).