N,N-bis[di(pyrrol-1-yl)phosphanyl]methanamine

C17H19N5P2 — CID 10784375

IUPACN,N-bis[di(pyrrol-1-yl)phosphanyl]methanamine
SMILESCN(P(n1cccc1)n1cccc1)P(n1cccc1)n1cccc1
InChIInChI=1S/C17H19N5P2/c1-18(23(19-10-2-3-11-19)20-12-4-5-13-20)24(21-14-6-7-15-21)22-16-8-9-17-22/h2-17H,1H3
InChIKeyBGHHNJRKSBSKOI-UHFFFAOYSA-N
MW355.32 g/mol
LogP4.77
Rot. Bonds6

About N,N-bis[di(pyrrol-1-yl)phosphanyl]methanamine

N,N-bis[di(pyrrol-1-yl)phosphanyl]methanamine (PubChem CID 10784375) has the molecular formula C17H19N5P2 and a molecular weight of 355.32 g/mol. Its IUPAC name is N,N-bis[di(pyrrol-1-yl)phosphanyl]methanamine.

Molecular Properties

Compound NameN,N-bis[di(pyrrol-1-yl)phosphanyl]methanamine
PubChem CID10784375
Molecular FormulaC17H19N5P2
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC NameN,N-bis[di(pyrrol-1-yl)phosphanyl]methanamine
SMILESCN(P(n1cccc1)n1cccc1)P(n1cccc1)n1cccc1
InChIInChI=1S/C17H19N5P2/c1-18(23(19-10-2-3-11-19)20-12-4-5-13-20)24(21-14-6-7-15-21)22-16-8-9-17-22/h2-17H,1H3
InChIKeyBGHHNJRKSBSKOI-UHFFFAOYSA-N
XLogP4.77
TPSA22.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[di(pyrrol-1-yl)phosphanyl]methanamine?
The IUPAC name of N,N-bis[di(pyrrol-1-yl)phosphanyl]methanamine (CID 10784375) is N,N-bis[di(pyrrol-1-yl)phosphanyl]methanamine.
What is the SMILES notation for N,N-bis[di(pyrrol-1-yl)phosphanyl]methanamine?
The canonical SMILES for N,N-bis[di(pyrrol-1-yl)phosphanyl]methanamine is CN(P(n1cccc1)n1cccc1)P(n1cccc1)n1cccc1.
What is the InChIKey of N,N-bis[di(pyrrol-1-yl)phosphanyl]methanamine?
The InChIKey is BGHHNJRKSBSKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5P2/c1-18(23(19-10-2-3-11-19)20-12-4-5-13-20)24(21-14-6-7-15-21)22-16-8-9-17-22/h2-17H,1H3.
What are the key properties of N,N-bis[di(pyrrol-1-yl)phosphanyl]methanamine?
N,N-bis[di(pyrrol-1-yl)phosphanyl]methanamine has a molecular weight of 355.32 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[di(pyrrol-1-yl)phosphanyl]methanamine is sourced from PubChem (CID 10784375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).