N,N'-diphenylbutane-1,4-diamine

C16H20N2 — CID 13011971

IUPACN,N'-diphenylbutane-1,4-diamine
SMILESc1ccc(NCCCCNc2ccccc2)cc1
InChIInChI=1S/C16H20N2/c1-3-9-15(10-4-1)17-13-7-8-14-18-16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2
InChIKeyIWGFOKDKNXXIRB-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.99
Rot. Bonds7

About N,N'-diphenylbutane-1,4-diamine

N,N'-diphenylbutane-1,4-diamine (PubChem CID 13011971) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N,N'-diphenylbutane-1,4-diamine.

Molecular Properties

Compound NameN,N'-diphenylbutane-1,4-diamine
PubChem CID13011971
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN,N'-diphenylbutane-1,4-diamine
SMILESc1ccc(NCCCCNc2ccccc2)cc1
InChIInChI=1S/C16H20N2/c1-3-9-15(10-4-1)17-13-7-8-14-18-16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2
InChIKeyIWGFOKDKNXXIRB-UHFFFAOYSA-N
XLogP3.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-diphenylbutane-1,4-diamine?
The IUPAC name of N,N'-diphenylbutane-1,4-diamine (CID 13011971) is N,N'-diphenylbutane-1,4-diamine.
What is the SMILES notation for N,N'-diphenylbutane-1,4-diamine?
The canonical SMILES for N,N'-diphenylbutane-1,4-diamine is c1ccc(NCCCCNc2ccccc2)cc1.
What is the InChIKey of N,N'-diphenylbutane-1,4-diamine?
The InChIKey is IWGFOKDKNXXIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-3-9-15(10-4-1)17-13-7-8-14-18-16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2.
What are the key properties of N,N'-diphenylbutane-1,4-diamine?
N,N'-diphenylbutane-1,4-diamine has a molecular weight of 240.35 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diphenylbutane-1,4-diamine is sourced from PubChem (CID 13011971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).