N,N-dimethyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine

C8H16N4 — CID 66118363

IUPACN,N-dimethyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
SMILESCN(C)C(CN)c1cncn1C
InChIInChI=1S/C8H16N4/c1-11(2)7(4-9)8-5-10-6-12(8)3/h5-7H,4,9H2,1-3H3
InChIKeyJTYDZWOPAGEGMP-UHFFFAOYSA-N
MW168.24 g/mol
LogP-0.02
Rot. Bonds3

About N,N-dimethyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine

N,N-dimethyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine (PubChem CID 66118363) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N,N-dimethyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
PubChem CID66118363
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN,N-dimethyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
SMILESCN(C)C(CN)c1cncn1C
InChIInChI=1S/C8H16N4/c1-11(2)7(4-9)8-5-10-6-12(8)3/h5-7H,4,9H2,1-3H3
InChIKeyJTYDZWOPAGEGMP-UHFFFAOYSA-N
XLogP-0.02
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine (CID 66118363) is N,N-dimethyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine is CN(C)C(CN)c1cncn1C.
What is the InChIKey of N,N-dimethyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
The InChIKey is JTYDZWOPAGEGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-11(2)7(4-9)8-5-10-6-12(8)3/h5-7H,4,9H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
N,N-dimethyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine has a molecular weight of 168.24 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 66118363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).