N-propan-2-yl-N-prop-2-ynoxyphosphanylpropan-2-amine

C9H18NOP — CID 88955035

IUPACN-propan-2-yl-N-prop-2-ynoxyphosphanylpropan-2-amine
SMILESC#CCOPN(C(C)C)C(C)C
InChIInChI=1S/C9H18NOP/c1-6-7-11-12-10(8(2)3)9(4)5/h1,8-9,12H,7H2,2-5H3
InChIKeyFELARFGJEFXWCB-UHFFFAOYSA-N
MW187.22 g/mol
LogP2.26
Rot. Bonds5

About N-propan-2-yl-N-prop-2-ynoxyphosphanylpropan-2-amine

N-propan-2-yl-N-prop-2-ynoxyphosphanylpropan-2-amine (PubChem CID 88955035) has the molecular formula C9H18NOP and a molecular weight of 187.22 g/mol. Its IUPAC name is N-propan-2-yl-N-prop-2-ynoxyphosphanylpropan-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-prop-2-ynoxyphosphanylpropan-2-amine
PubChem CID88955035
Molecular FormulaC9H18NOP
Molecular Weight187.22 g/mol
Exact Mass187.11
IUPAC NameN-propan-2-yl-N-prop-2-ynoxyphosphanylpropan-2-amine
SMILESC#CCOPN(C(C)C)C(C)C
InChIInChI=1S/C9H18NOP/c1-6-7-11-12-10(8(2)3)9(4)5/h1,8-9,12H,7H2,2-5H3
InChIKeyFELARFGJEFXWCB-UHFFFAOYSA-N
XLogP2.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 52.26
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-propan-2-yl-N-prop-2-ynoxyphosphanylpropan-2-amine?
The IUPAC name of N-propan-2-yl-N-prop-2-ynoxyphosphanylpropan-2-amine (CID 88955035) is N-propan-2-yl-N-prop-2-ynoxyphosphanylpropan-2-amine.
What is the SMILES notation for N-propan-2-yl-N-prop-2-ynoxyphosphanylpropan-2-amine?
The canonical SMILES for N-propan-2-yl-N-prop-2-ynoxyphosphanylpropan-2-amine is C#CCOPN(C(C)C)C(C)C.
What is the InChIKey of N-propan-2-yl-N-prop-2-ynoxyphosphanylpropan-2-amine?
The InChIKey is FELARFGJEFXWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NOP/c1-6-7-11-12-10(8(2)3)9(4)5/h1,8-9,12H,7H2,2-5H3.
What are the key properties of N-propan-2-yl-N-prop-2-ynoxyphosphanylpropan-2-amine?
N-propan-2-yl-N-prop-2-ynoxyphosphanylpropan-2-amine has a molecular weight of 187.22 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-prop-2-ynoxyphosphanylpropan-2-amine is sourced from PubChem (CID 88955035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).