2-butylphosphanylethanamine

C6H16NP — CID 16700567

IUPAC2-butylphosphanylethanamine
SMILESCCCCPCCN
InChIInChI=1S/C6H16NP/c1-2-3-5-8-6-4-7/h8H,2-7H2,1H3
InChIKeyUWVPFBVXNLTYSI-UHFFFAOYSA-N
MW133.18 g/mol
LogP1.42
Rot. Bonds5

About 2-butylphosphanylethanamine

2-butylphosphanylethanamine (PubChem CID 16700567) has the molecular formula C6H16NP and a molecular weight of 133.18 g/mol. Its IUPAC name is 2-butylphosphanylethanamine.

Molecular Properties

Compound Name2-butylphosphanylethanamine
PubChem CID16700567
Molecular FormulaC6H16NP
Molecular Weight133.18 g/mol
Exact Mass133.10
IUPAC Name2-butylphosphanylethanamine
SMILESCCCCPCCN
InChIInChI=1S/C6H16NP/c1-2-3-5-8-6-4-7/h8H,2-7H2,1H3
InChIKeyUWVPFBVXNLTYSI-UHFFFAOYSA-N
XLogP1.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.18
LogP ≤ 51.42
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 2-butylphosphanylethanamine?
The IUPAC name of 2-butylphosphanylethanamine (CID 16700567) is 2-butylphosphanylethanamine.
What is the SMILES notation for 2-butylphosphanylethanamine?
The canonical SMILES for 2-butylphosphanylethanamine is CCCCPCCN.
What is the InChIKey of 2-butylphosphanylethanamine?
The InChIKey is UWVPFBVXNLTYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NP/c1-2-3-5-8-6-4-7/h8H,2-7H2,1H3.
What are the key properties of 2-butylphosphanylethanamine?
2-butylphosphanylethanamine has a molecular weight of 133.18 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylphosphanylethanamine is sourced from PubChem (CID 16700567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).