N,N-bis(diphenylphosphanyl)tridecan-1-amine

C37H47NP2 — CID 175292609

IUPACN,N-bis(diphenylphosphanyl)tridecan-1-amine
SMILESCCCCCCCCCCCCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H47NP2/c1-2-3-4-5-6-7-8-9-10-11-24-33-38(39(34-25-16-12-17-26-34)35-27-18-13-19-28-35)40(36-29-20-14-21-30-36)37-31-22-15-23-32-37/h12-23,25-32H,2-11,24,33H2,1H3
InChIKeyRXCKFWRDJXJHLM-UHFFFAOYSA-N
MW567.74 g/mol
LogP9.70
Rot. Bonds18

About N,N-bis(diphenylphosphanyl)tridecan-1-amine

N,N-bis(diphenylphosphanyl)tridecan-1-amine (PubChem CID 175292609) has the molecular formula C37H47NP2 and a molecular weight of 567.74 g/mol. Its IUPAC name is N,N-bis(diphenylphosphanyl)tridecan-1-amine.

Molecular Properties

Compound NameN,N-bis(diphenylphosphanyl)tridecan-1-amine
PubChem CID175292609
Molecular FormulaC37H47NP2
Molecular Weight567.74 g/mol
Exact Mass567.32
IUPAC NameN,N-bis(diphenylphosphanyl)tridecan-1-amine
SMILESCCCCCCCCCCCCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H47NP2/c1-2-3-4-5-6-7-8-9-10-11-24-33-38(39(34-25-16-12-17-26-34)35-27-18-13-19-28-35)40(36-29-20-14-21-30-36)37-31-22-15-23-32-37/h12-23,25-32H,2-11,24,33H2,1H3
InChIKeyRXCKFWRDJXJHLM-UHFFFAOYSA-N
XLogP9.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.74
LogP ≤ 59.70
H-Bond Donors ≤ 50
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 N,N-bis(diphenylphosphanyl)tridecan-1-amine?
The IUPAC name of N,N-bis(diphenylphosphanyl)tridecan-1-amine (CID 175292609) is N,N-bis(diphenylphosphanyl)tridecan-1-amine.
What is the SMILES notation for N,N-bis(diphenylphosphanyl)tridecan-1-amine?
The canonical SMILES for N,N-bis(diphenylphosphanyl)tridecan-1-amine is CCCCCCCCCCCCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-bis(diphenylphosphanyl)tridecan-1-amine?
The InChIKey is RXCKFWRDJXJHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H47NP2/c1-2-3-4-5-6-7-8-9-10-11-24-33-38(39(34-25-16-12-17-26-34)35-27-18-13-19-28-35)40(36-29-20-14-21-30-36)37-31-22-15-23-32-37/h12-23,25-32H,2-11,24,33H2,1H3.
What are the key properties of N,N-bis(diphenylphosphanyl)tridecan-1-amine?
N,N-bis(diphenylphosphanyl)tridecan-1-amine has a molecular weight of 567.74 g/mol, XLogP of 9.70, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(diphenylphosphanyl)tridecan-1-amine is sourced from PubChem (CID 175292609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).