N-hex-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine

C12H24NOP — CID 129227902

IUPACN-hex-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine
SMILESCCC#CCCOPN(C(C)C)C(C)C
InChIInChI=1S/C12H24NOP/c1-6-7-8-9-10-14-15-13(11(2)3)12(4)5/h11-12,15H,6,9-10H2,1-5H3
InChIKeyFKZZTMPYOJFUOE-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.43
Rot. Bonds6

About N-hex-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine

N-hex-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine (PubChem CID 129227902) has the molecular formula C12H24NOP and a molecular weight of 229.30 g/mol. Its IUPAC name is N-hex-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-hex-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine
PubChem CID129227902
Molecular FormulaC12H24NOP
Molecular Weight229.30 g/mol
Exact Mass229.16
IUPAC NameN-hex-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine
SMILESCCC#CCCOPN(C(C)C)C(C)C
InChIInChI=1S/C12H24NOP/c1-6-7-8-9-10-14-15-13(11(2)3)12(4)5/h11-12,15H,6,9-10H2,1-5H3
InChIKeyFKZZTMPYOJFUOE-UHFFFAOYSA-N
XLogP3.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-hex-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-hex-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine (CID 129227902) is N-hex-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-hex-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-hex-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine is CCC#CCCOPN(C(C)C)C(C)C.
What is the InChIKey of N-hex-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine?
The InChIKey is FKZZTMPYOJFUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24NOP/c1-6-7-8-9-10-14-15-13(11(2)3)12(4)5/h11-12,15H,6,9-10H2,1-5H3.
What are the key properties of N-hex-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine?
N-hex-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine has a molecular weight of 229.30 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 129227902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).