N-bis(pent-4-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine

C16H28NO2P — CID 57387967

IUPACN-bis(pent-4-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine
SMILESC#CCCCOP(OCCCC#C)N(C(C)C)C(C)C
InChIInChI=1S/C16H28NO2P/c1-7-9-11-13-18-20(19-14-12-10-8-2)17(15(3)4)16(5)6/h1-2,15-16H,9-14H2,3-6H3
InChIKeyMSFCTGVIKOZQHE-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.19
Rot. Bonds11

About N-bis(pent-4-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine

N-bis(pent-4-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine (PubChem CID 57387967) has the molecular formula C16H28NO2P and a molecular weight of 297.38 g/mol. Its IUPAC name is N-bis(pent-4-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-bis(pent-4-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine
PubChem CID57387967
Molecular FormulaC16H28NO2P
Molecular Weight297.38 g/mol
Exact Mass297.19
IUPAC NameN-bis(pent-4-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine
SMILESC#CCCCOP(OCCCC#C)N(C(C)C)C(C)C
InChIInChI=1S/C16H28NO2P/c1-7-9-11-13-18-20(19-14-12-10-8-2)17(15(3)4)16(5)6/h1-2,15-16H,9-14H2,3-6H3
InChIKeyMSFCTGVIKOZQHE-UHFFFAOYSA-N
XLogP4.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-bis(pent-4-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-bis(pent-4-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine (CID 57387967) is N-bis(pent-4-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-bis(pent-4-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-bis(pent-4-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine is C#CCCCOP(OCCCC#C)N(C(C)C)C(C)C.
What is the InChIKey of N-bis(pent-4-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine?
The InChIKey is MSFCTGVIKOZQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28NO2P/c1-7-9-11-13-18-20(19-14-12-10-8-2)17(15(3)4)16(5)6/h1-2,15-16H,9-14H2,3-6H3.
What are the key properties of N-bis(pent-4-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine?
N-bis(pent-4-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine has a molecular weight of 297.38 g/mol, XLogP of 4.19, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(pent-4-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 57387967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).