N'-(3-tert-butylphenyl)-N-(2-methoxyethyl)propane-1,3-diamine

C16H28N2O — CID 20619662

IUPACN'-(3-tert-butylphenyl)-N-(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCNCCCNc1cccc(C(C)(C)C)c1
InChIInChI=1S/C16H28N2O/c1-16(2,3)14-7-5-8-15(13-14)18-10-6-9-17-11-12-19-4/h5,7-8,13,17-18H,6,9-12H2,1-4H3
InChIKeyIDBAKIKZKGYGLU-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.02
Rot. Bonds8

About N'-(3-tert-butylphenyl)-N-(2-methoxyethyl)propane-1,3-diamine

N'-(3-tert-butylphenyl)-N-(2-methoxyethyl)propane-1,3-diamine (PubChem CID 20619662) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N'-(3-tert-butylphenyl)-N-(2-methoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-tert-butylphenyl)-N-(2-methoxyethyl)propane-1,3-diamine
PubChem CID20619662
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN'-(3-tert-butylphenyl)-N-(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCNCCCNc1cccc(C(C)(C)C)c1
InChIInChI=1S/C16H28N2O/c1-16(2,3)14-7-5-8-15(13-14)18-10-6-9-17-11-12-19-4/h5,7-8,13,17-18H,6,9-12H2,1-4H3
InChIKeyIDBAKIKZKGYGLU-UHFFFAOYSA-N
XLogP3.02
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
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'-(3-tert-butylphenyl)-N-(2-methoxyethyl)propane-1,3-diamine?
The IUPAC name of N'-(3-tert-butylphenyl)-N-(2-methoxyethyl)propane-1,3-diamine (CID 20619662) is N'-(3-tert-butylphenyl)-N-(2-methoxyethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-tert-butylphenyl)-N-(2-methoxyethyl)propane-1,3-diamine?
The canonical SMILES for N'-(3-tert-butylphenyl)-N-(2-methoxyethyl)propane-1,3-diamine is COCCNCCCNc1cccc(C(C)(C)C)c1.
What is the InChIKey of N'-(3-tert-butylphenyl)-N-(2-methoxyethyl)propane-1,3-diamine?
The InChIKey is IDBAKIKZKGYGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-16(2,3)14-7-5-8-15(13-14)18-10-6-9-17-11-12-19-4/h5,7-8,13,17-18H,6,9-12H2,1-4H3.
What are the key properties of N'-(3-tert-butylphenyl)-N-(2-methoxyethyl)propane-1,3-diamine?
N'-(3-tert-butylphenyl)-N-(2-methoxyethyl)propane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-tert-butylphenyl)-N-(2-methoxyethyl)propane-1,3-diamine is sourced from PubChem (CID 20619662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).