N,N'-bis(1-phenylethyl)ethane-1,2-diamine

C18H24N2 — CID 22679

IUPACN,N'-bis(1-phenylethyl)ethane-1,2-diamine
SMILESCC(NCCNC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H24N2/c1-15(17-9-5-3-6-10-17)19-13-14-20-16(2)18-11-7-4-8-12-18/h3-12,15-16,19-20H,13-14H2,1-2H3
InChIKeyLVJYSFUNASCGCN-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.69
Rot. Bonds7

About N,N'-bis(1-phenylethyl)ethane-1,2-diamine

N,N'-bis(1-phenylethyl)ethane-1,2-diamine (PubChem CID 22679) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N,N'-bis(1-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(1-phenylethyl)ethane-1,2-diamine
PubChem CID22679
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN,N'-bis(1-phenylethyl)ethane-1,2-diamine
SMILESCC(NCCNC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H24N2/c1-15(17-9-5-3-6-10-17)19-13-14-20-16(2)18-11-7-4-8-12-18/h3-12,15-16,19-20H,13-14H2,1-2H3
InChIKeyLVJYSFUNASCGCN-UHFFFAOYSA-N
XLogP3.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.69
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'-bis(1-phenylethyl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(1-phenylethyl)ethane-1,2-diamine (CID 22679) is N,N'-bis(1-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(1-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(1-phenylethyl)ethane-1,2-diamine is CC(NCCNC(C)c1ccccc1)c1ccccc1.
What is the InChIKey of N,N'-bis(1-phenylethyl)ethane-1,2-diamine?
The InChIKey is LVJYSFUNASCGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-15(17-9-5-3-6-10-17)19-13-14-20-16(2)18-11-7-4-8-12-18/h3-12,15-16,19-20H,13-14H2,1-2H3.
What are the key properties of N,N'-bis(1-phenylethyl)ethane-1,2-diamine?
N,N'-bis(1-phenylethyl)ethane-1,2-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 22679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).