N-ethyl-N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine

C16H24N4 — CID 66163795

IUPACN-ethyl-N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
SMILESCCN(c1ccccc1)C(CN)c1cncn1C(C)C
InChIInChI=1S/C16H24N4/c1-4-19(14-8-6-5-7-9-14)15(10-17)16-11-18-12-20(16)13(2)3/h5-9,11-13,15H,4,10,17H2,1-3H3
InChIKeyDENQTFNLSXRLTI-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.99
Rot. Bonds6

About N-ethyl-N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine

N-ethyl-N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine (PubChem CID 66163795) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-ethyl-N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
PubChem CID66163795
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-ethyl-N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
SMILESCCN(c1ccccc1)C(CN)c1cncn1C(C)C
InChIInChI=1S/C16H24N4/c1-4-19(14-8-6-5-7-9-14)15(10-17)16-11-18-12-20(16)13(2)3/h5-9,11-13,15H,4,10,17H2,1-3H3
InChIKeyDENQTFNLSXRLTI-UHFFFAOYSA-N
XLogP2.99
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine (CID 66163795) is N-ethyl-N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine is CCN(c1ccccc1)C(CN)c1cncn1C(C)C.
What is the InChIKey of N-ethyl-N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
The InChIKey is DENQTFNLSXRLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-4-19(14-8-6-5-7-9-14)15(10-17)16-11-18-12-20(16)13(2)3/h5-9,11-13,15H,4,10,17H2,1-3H3.
What are the key properties of N-ethyl-N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
N-ethyl-N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine has a molecular weight of 272.40 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 66163795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).