N,N'-bis(phosphanyl)-N,N'-bis[3-(phosphanylamino)propyl]butane-1,4-diamine

C10H30N4P4 — CID 129274493

IUPACN,N'-bis(phosphanyl)-N,N'-bis[3-(phosphanylamino)propyl]butane-1,4-diamine
SMILESPNCCCN(P)CCCCN(P)CCCNP
InChIInChI=1S/C10H30N4P4/c15-11-5-3-9-13(17)7-1-2-8-14(18)10-4-6-12-16/h11-12H,1-10,15-18H2
InChIKeyAKWRVDXXIFUVNE-UHFFFAOYSA-N
MW330.27 g/mol
LogP1.49
Rot. Bonds13

About N,N'-bis(phosphanyl)-N,N'-bis[3-(phosphanylamino)propyl]butane-1,4-diamine

N,N'-bis(phosphanyl)-N,N'-bis[3-(phosphanylamino)propyl]butane-1,4-diamine (PubChem CID 129274493) has the molecular formula C10H30N4P4 and a molecular weight of 330.27 g/mol. Its IUPAC name is N,N'-bis(phosphanyl)-N,N'-bis[3-(phosphanylamino)propyl]butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-bis(phosphanyl)-N,N'-bis[3-(phosphanylamino)propyl]butane-1,4-diamine
PubChem CID129274493
Molecular FormulaC10H30N4P4
Molecular Weight330.27 g/mol
Exact Mass330.14
IUPAC NameN,N'-bis(phosphanyl)-N,N'-bis[3-(phosphanylamino)propyl]butane-1,4-diamine
SMILESPNCCCN(P)CCCCN(P)CCCNP
InChIInChI=1S/C10H30N4P4/c15-11-5-3-9-13(17)7-1-2-8-14(18)10-4-6-12-16/h11-12H,1-10,15-18H2
InChIKeyAKWRVDXXIFUVNE-UHFFFAOYSA-N
XLogP1.49
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N,N'-bis(phosphanyl)-N,N'-bis[3-(phosphanylamino)propyl]butane-1,4-diamine?
The IUPAC name of N,N'-bis(phosphanyl)-N,N'-bis[3-(phosphanylamino)propyl]butane-1,4-diamine (CID 129274493) is N,N'-bis(phosphanyl)-N,N'-bis[3-(phosphanylamino)propyl]butane-1,4-diamine.
What is the SMILES notation for N,N'-bis(phosphanyl)-N,N'-bis[3-(phosphanylamino)propyl]butane-1,4-diamine?
The canonical SMILES for N,N'-bis(phosphanyl)-N,N'-bis[3-(phosphanylamino)propyl]butane-1,4-diamine is PNCCCN(P)CCCCN(P)CCCNP.
What is the InChIKey of N,N'-bis(phosphanyl)-N,N'-bis[3-(phosphanylamino)propyl]butane-1,4-diamine?
The InChIKey is AKWRVDXXIFUVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H30N4P4/c15-11-5-3-9-13(17)7-1-2-8-14(18)10-4-6-12-16/h11-12H,1-10,15-18H2.
What are the key properties of N,N'-bis(phosphanyl)-N,N'-bis[3-(phosphanylamino)propyl]butane-1,4-diamine?
N,N'-bis(phosphanyl)-N,N'-bis[3-(phosphanylamino)propyl]butane-1,4-diamine has a molecular weight of 330.27 g/mol, XLogP of 1.49, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(phosphanyl)-N,N'-bis[3-(phosphanylamino)propyl]butane-1,4-diamine is sourced from PubChem (CID 129274493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).