3-di(propan-2-yl)phosphanyl-N-[3-di(propan-2-yl)phosphanylpropyl]propan-1-amine

C18H41NP2 — CID 87451208

IUPAC3-di(propan-2-yl)phosphanyl-N-[3-di(propan-2-yl)phosphanylpropyl]propan-1-amine
SMILESCC(C)P(CCCNCCCP(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C18H41NP2/c1-15(2)20(16(3)4)13-9-11-19-12-10-14-21(17(5)6)18(7)8/h15-19H,9-14H2,1-8H3
InChIKeyJNGCRIQFTUCXMW-UHFFFAOYSA-N
MW333.48 g/mol
LogP5.95
Rot. Bonds12

About 3-di(propan-2-yl)phosphanyl-N-[3-di(propan-2-yl)phosphanylpropyl]propan-1-amine

3-di(propan-2-yl)phosphanyl-N-[3-di(propan-2-yl)phosphanylpropyl]propan-1-amine (PubChem CID 87451208) has the molecular formula C18H41NP2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-di(propan-2-yl)phosphanyl-N-[3-di(propan-2-yl)phosphanylpropyl]propan-1-amine.

Molecular Properties

Compound Name3-di(propan-2-yl)phosphanyl-N-[3-di(propan-2-yl)phosphanylpropyl]propan-1-amine
PubChem CID87451208
Molecular FormulaC18H41NP2
Molecular Weight333.48 g/mol
Exact Mass333.27
IUPAC Name3-di(propan-2-yl)phosphanyl-N-[3-di(propan-2-yl)phosphanylpropyl]propan-1-amine
SMILESCC(C)P(CCCNCCCP(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C18H41NP2/c1-15(2)20(16(3)4)13-9-11-19-12-10-14-21(17(5)6)18(7)8/h15-19H,9-14H2,1-8H3
InChIKeyJNGCRIQFTUCXMW-UHFFFAOYSA-N
XLogP5.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 55.95
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 3-di(propan-2-yl)phosphanyl-N-[3-di(propan-2-yl)phosphanylpropyl]propan-1-amine?
The IUPAC name of 3-di(propan-2-yl)phosphanyl-N-[3-di(propan-2-yl)phosphanylpropyl]propan-1-amine (CID 87451208) is 3-di(propan-2-yl)phosphanyl-N-[3-di(propan-2-yl)phosphanylpropyl]propan-1-amine.
What is the SMILES notation for 3-di(propan-2-yl)phosphanyl-N-[3-di(propan-2-yl)phosphanylpropyl]propan-1-amine?
The canonical SMILES for 3-di(propan-2-yl)phosphanyl-N-[3-di(propan-2-yl)phosphanylpropyl]propan-1-amine is CC(C)P(CCCNCCCP(C(C)C)C(C)C)C(C)C.
What is the InChIKey of 3-di(propan-2-yl)phosphanyl-N-[3-di(propan-2-yl)phosphanylpropyl]propan-1-amine?
The InChIKey is JNGCRIQFTUCXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41NP2/c1-15(2)20(16(3)4)13-9-11-19-12-10-14-21(17(5)6)18(7)8/h15-19H,9-14H2,1-8H3.
What are the key properties of 3-di(propan-2-yl)phosphanyl-N-[3-di(propan-2-yl)phosphanylpropyl]propan-1-amine?
3-di(propan-2-yl)phosphanyl-N-[3-di(propan-2-yl)phosphanylpropyl]propan-1-amine has a molecular weight of 333.48 g/mol, XLogP of 5.95, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-di(propan-2-yl)phosphanyl-N-[3-di(propan-2-yl)phosphanylpropyl]propan-1-amine is sourced from PubChem (CID 87451208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).