N'-(3-tert-butylphenyl)-N-(2-methoxyethyl)butane-1,4-diamine

C17H30N2O — CID 20619661

IUPACN'-(3-tert-butylphenyl)-N-(2-methoxyethyl)butane-1,4-diamine
SMILESCOCCNCCCCNc1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H30N2O/c1-17(2,3)15-8-7-9-16(14-15)19-11-6-5-10-18-12-13-20-4/h7-9,14,18-19H,5-6,10-13H2,1-4H3
InChIKeyFOGCMDVJDJDILK-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.41
Rot. Bonds9

About N'-(3-tert-butylphenyl)-N-(2-methoxyethyl)butane-1,4-diamine

N'-(3-tert-butylphenyl)-N-(2-methoxyethyl)butane-1,4-diamine (PubChem CID 20619661) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N'-(3-tert-butylphenyl)-N-(2-methoxyethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(3-tert-butylphenyl)-N-(2-methoxyethyl)butane-1,4-diamine
PubChem CID20619661
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN'-(3-tert-butylphenyl)-N-(2-methoxyethyl)butane-1,4-diamine
SMILESCOCCNCCCCNc1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H30N2O/c1-17(2,3)15-8-7-9-16(14-15)19-11-6-5-10-18-12-13-20-4/h7-9,14,18-19H,5-6,10-13H2,1-4H3
InChIKeyFOGCMDVJDJDILK-UHFFFAOYSA-N
XLogP3.41
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.41
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)butane-1,4-diamine?
The IUPAC name of N'-(3-tert-butylphenyl)-N-(2-methoxyethyl)butane-1,4-diamine (CID 20619661) is N'-(3-tert-butylphenyl)-N-(2-methoxyethyl)butane-1,4-diamine.
What is the SMILES notation for N'-(3-tert-butylphenyl)-N-(2-methoxyethyl)butane-1,4-diamine?
The canonical SMILES for N'-(3-tert-butylphenyl)-N-(2-methoxyethyl)butane-1,4-diamine is COCCNCCCCNc1cccc(C(C)(C)C)c1.
What is the InChIKey of N'-(3-tert-butylphenyl)-N-(2-methoxyethyl)butane-1,4-diamine?
The InChIKey is FOGCMDVJDJDILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-17(2,3)15-8-7-9-16(14-15)19-11-6-5-10-18-12-13-20-4/h7-9,14,18-19H,5-6,10-13H2,1-4H3.
What are the key properties of N'-(3-tert-butylphenyl)-N-(2-methoxyethyl)butane-1,4-diamine?
N'-(3-tert-butylphenyl)-N-(2-methoxyethyl)butane-1,4-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.41, 9 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)butane-1,4-diamine is sourced from PubChem (CID 20619661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).