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

C10H20NOP — CID 129227955

IUPACN-but-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine
SMILESC#CCCOPN(C(C)C)C(C)C
InChIInChI=1S/C10H20NOP/c1-6-7-8-12-13-11(9(2)3)10(4)5/h1,9-10,13H,7-8H2,2-5H3
InChIKeyNEYAVLVIVIZQMG-UHFFFAOYSA-N
MW201.25 g/mol
LogP2.65
Rot. Bonds6

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

N-but-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine (PubChem CID 129227955) has the molecular formula C10H20NOP and a molecular weight of 201.25 g/mol. Its IUPAC name is N-but-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-but-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine
PubChem CID129227955
Molecular FormulaC10H20NOP
Molecular Weight201.25 g/mol
Exact Mass201.13
IUPAC NameN-but-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine
SMILESC#CCCOPN(C(C)C)C(C)C
InChIInChI=1S/C10H20NOP/c1-6-7-8-12-13-11(9(2)3)10(4)5/h1,9-10,13H,7-8H2,2-5H3
InChIKeyNEYAVLVIVIZQMG-UHFFFAOYSA-N
XLogP2.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 52.65
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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Related Compounds

N-ethoxyphosphanyl-N-propan-2-ylpropan-2-amine
CID 16697629
N-butoxyphosphanyl-N-propan-2-ylpropan-2-amine
CID 22223470
N-[[di(propan-2-yl)amino]-pent-4-ynoxyphosphanyl]-N-propan-2-ylpropan-2-amine
CID 24766691
N-bis(prop-2-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine
CID 24984007
N-bis(but-3-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine
CID 24984157
N-bis(pent-4-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine
CID 57387967
C9H22Nop
CID 88538602
N,N-di(propan-2-yl)-prop-2-ynoxyphosphonamidous acid
CID 88954976
N-propan-2-yl-N-prop-2-ynoxyphosphanylpropan-2-amine
CID 88955035
N-hex-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine
CID 129227902
N-pent-4-yn-2-yloxyphosphanyl-N-propan-2-ylpropan-2-amine
CID 129228091
N-hept-6-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine
CID 129228095

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-but-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine (CID 129227955) is N-but-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-but-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-but-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine is C#CCCOPN(C(C)C)C(C)C.
What is the InChIKey of N-but-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine?
The InChIKey is NEYAVLVIVIZQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NOP/c1-6-7-8-12-13-11(9(2)3)10(4)5/h1,9-10,13H,7-8H2,2-5H3.
What are the key properties of N-but-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine?
N-but-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine has a molecular weight of 201.25 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynoxyphosphanyl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 129227955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).