N',N'-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]ethane-1,2-diamine

C15H22N4 — CID 62564926

IUPACN',N'-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]ethane-1,2-diamine
SMILESCN(C)CCNCCn1ccnc1-c1ccccc1
InChIInChI=1S/C15H22N4/c1-18(2)11-8-16-9-12-19-13-10-17-15(19)14-6-4-3-5-7-14/h3-7,10,13,16H,8-9,11-12H2,1-2H3
InChIKeyJVRNVHAOCVPAHG-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.70
Rot. Bonds7

About N',N'-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]ethane-1,2-diamine

N',N'-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]ethane-1,2-diamine (PubChem CID 62564926) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]ethane-1,2-diamine
PubChem CID62564926
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN',N'-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]ethane-1,2-diamine
SMILESCN(C)CCNCCn1ccnc1-c1ccccc1
InChIInChI=1S/C15H22N4/c1-18(2)11-8-16-9-12-19-13-10-17-15(19)14-6-4-3-5-7-14/h3-7,10,13,16H,8-9,11-12H2,1-2H3
InChIKeyJVRNVHAOCVPAHG-UHFFFAOYSA-N
XLogP1.70
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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',N'-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]ethane-1,2-diamine (CID 62564926) is N',N'-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]ethane-1,2-diamine is CN(C)CCNCCn1ccnc1-c1ccccc1.
What is the InChIKey of N',N'-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]ethane-1,2-diamine?
The InChIKey is JVRNVHAOCVPAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-18(2)11-8-16-9-12-19-13-10-17-15(19)14-6-4-3-5-7-14/h3-7,10,13,16H,8-9,11-12H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]ethane-1,2-diamine has a molecular weight of 258.37 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 62564926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).