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

C18H24N2 — CID 129291272

IUPAC1-N,1-N'-bis(2-ethylphenyl)ethane-1,1-diamine
SMILESCCc1ccccc1NC(C)Nc1ccccc1CC
InChIInChI=1S/C18H24N2/c1-4-15-10-6-8-12-17(15)19-14(3)20-18-13-9-7-11-16(18)5-2/h6-14,19-20H,4-5H2,1-3H3
InChIKeyVWDZBSMBEBREJA-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.68
Rot. Bonds6

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

1-N,1-N'-bis(2-ethylphenyl)ethane-1,1-diamine (PubChem CID 129291272) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-N,1-N'-bis(2-ethylphenyl)ethane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-bis(2-ethylphenyl)ethane-1,1-diamine
PubChem CID129291272
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-N,1-N'-bis(2-ethylphenyl)ethane-1,1-diamine
SMILESCCc1ccccc1NC(C)Nc1ccccc1CC
InChIInChI=1S/C18H24N2/c1-4-15-10-6-8-12-17(15)19-14(3)20-18-13-9-7-11-16(18)5-2/h6-14,19-20H,4-5H2,1-3H3
InChIKeyVWDZBSMBEBREJA-UHFFFAOYSA-N
XLogP4.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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2-ethyl-N-[(2-ethylphenyl)methyl]aniline
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N-(2-ethylphenyl)methanethioamide
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1,3-bis(2-ethylphenyl)thiourea
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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis(2-ethylphenyl)ethane-1,1-diamine?
The IUPAC name of 1-N,1-N'-bis(2-ethylphenyl)ethane-1,1-diamine (CID 129291272) is 1-N,1-N'-bis(2-ethylphenyl)ethane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-bis(2-ethylphenyl)ethane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-bis(2-ethylphenyl)ethane-1,1-diamine is CCc1ccccc1NC(C)Nc1ccccc1CC.
What is the InChIKey of 1-N,1-N'-bis(2-ethylphenyl)ethane-1,1-diamine?
The InChIKey is VWDZBSMBEBREJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-4-15-10-6-8-12-17(15)19-14(3)20-18-13-9-7-11-16(18)5-2/h6-14,19-20H,4-5H2,1-3H3.
What are the key properties of 1-N,1-N'-bis(2-ethylphenyl)ethane-1,1-diamine?
1-N,1-N'-bis(2-ethylphenyl)ethane-1,1-diamine has a molecular weight of 268.40 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis(2-ethylphenyl)ethane-1,1-diamine is sourced from PubChem (CID 129291272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).