N-[2-[2,4,6-tri(propan-2-yl)anilino]ethyl]-N'-[2,4,6-tri(propan-2-yl)phenyl]ethane-1,2-diamine

C34H57N3 — CID 18441023

IUPACN-[2-[2,4,6-tri(propan-2-yl)anilino]ethyl]-N'-[2,4,6-tri(propan-2-yl)phenyl]ethane-1,2-diamine
SMILESCC(C)c1cc(C(C)C)c(NCCNCCNc2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C34H57N3/c1-21(2)27-17-29(23(5)6)33(30(18-27)24(7)8)36-15-13-35-14-16-37-34-31(25(9)10)19-28(22(3)4)20-32(34)26(11)12/h17-26,35-37H,13-16H2,1-12H3
InChIKeyTUJIANYIDHGVNA-UHFFFAOYSA-N
MW507.85 g/mol
LogP9.54
Rot. Bonds14

About N-[2-[2,4,6-tri(propan-2-yl)anilino]ethyl]-N'-[2,4,6-tri(propan-2-yl)phenyl]ethane-1,2-diamine

N-[2-[2,4,6-tri(propan-2-yl)anilino]ethyl]-N'-[2,4,6-tri(propan-2-yl)phenyl]ethane-1,2-diamine (PubChem CID 18441023) has the molecular formula C34H57N3 and a molecular weight of 507.85 g/mol. Its IUPAC name is N-[2-[2,4,6-tri(propan-2-yl)anilino]ethyl]-N'-[2,4,6-tri(propan-2-yl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-[2,4,6-tri(propan-2-yl)anilino]ethyl]-N'-[2,4,6-tri(propan-2-yl)phenyl]ethane-1,2-diamine
PubChem CID18441023
Molecular FormulaC34H57N3
Molecular Weight507.85 g/mol
Exact Mass507.46
IUPAC NameN-[2-[2,4,6-tri(propan-2-yl)anilino]ethyl]-N'-[2,4,6-tri(propan-2-yl)phenyl]ethane-1,2-diamine
SMILESCC(C)c1cc(C(C)C)c(NCCNCCNc2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C34H57N3/c1-21(2)27-17-29(23(5)6)33(30(18-27)24(7)8)36-15-13-35-14-16-37-34-31(25(9)10)19-28(22(3)4)20-32(34)26(11)12/h17-26,35-37H,13-16H2,1-12H3
InChIKeyTUJIANYIDHGVNA-UHFFFAOYSA-N
XLogP9.54
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.85
LogP ≤ 59.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[2-[2,4,6-tri(propan-2-yl)anilino]ethyl]-N'-[2,4,6-tri(propan-2-yl)phenyl]ethane-1,2-diamine?
The IUPAC name of N-[2-[2,4,6-tri(propan-2-yl)anilino]ethyl]-N'-[2,4,6-tri(propan-2-yl)phenyl]ethane-1,2-diamine (CID 18441023) is N-[2-[2,4,6-tri(propan-2-yl)anilino]ethyl]-N'-[2,4,6-tri(propan-2-yl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N-[2-[2,4,6-tri(propan-2-yl)anilino]ethyl]-N'-[2,4,6-tri(propan-2-yl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N-[2-[2,4,6-tri(propan-2-yl)anilino]ethyl]-N'-[2,4,6-tri(propan-2-yl)phenyl]ethane-1,2-diamine is CC(C)c1cc(C(C)C)c(NCCNCCNc2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1.
What is the InChIKey of N-[2-[2,4,6-tri(propan-2-yl)anilino]ethyl]-N'-[2,4,6-tri(propan-2-yl)phenyl]ethane-1,2-diamine?
The InChIKey is TUJIANYIDHGVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H57N3/c1-21(2)27-17-29(23(5)6)33(30(18-27)24(7)8)36-15-13-35-14-16-37-34-31(25(9)10)19-28(22(3)4)20-32(34)26(11)12/h17-26,35-37H,13-16H2,1-12H3.
What are the key properties of N-[2-[2,4,6-tri(propan-2-yl)anilino]ethyl]-N'-[2,4,6-tri(propan-2-yl)phenyl]ethane-1,2-diamine?
N-[2-[2,4,6-tri(propan-2-yl)anilino]ethyl]-N'-[2,4,6-tri(propan-2-yl)phenyl]ethane-1,2-diamine has a molecular weight of 507.85 g/mol, XLogP of 9.54, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,4,6-tri(propan-2-yl)anilino]ethyl]-N'-[2,4,6-tri(propan-2-yl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 18441023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).