3-N-(1,4-dimethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine

C11H22N4 — CID 106567746

IUPAC3-N-(1,4-dimethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCc1cn(C)c(NC(C)CCN(C)C)n1
InChIInChI=1S/C11H22N4/c1-9(6-7-14(3)4)12-11-13-10(2)8-15(11)5/h8-9H,6-7H2,1-5H3,(H,12,13)
InChIKeyDRPSFJNPERAAPM-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.48
Rot. Bonds5

About 3-N-(1,4-dimethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine

3-N-(1,4-dimethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 106567746) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-N-(1,4-dimethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(1,4-dimethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID106567746
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name3-N-(1,4-dimethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCc1cn(C)c(NC(C)CCN(C)C)n1
InChIInChI=1S/C11H22N4/c1-9(6-7-14(3)4)12-11-13-10(2)8-15(11)5/h8-9H,6-7H2,1-5H3,(H,12,13)
InChIKeyDRPSFJNPERAAPM-UHFFFAOYSA-N
XLogP1.48
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(1,4-dimethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(1,4-dimethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine (CID 106567746) is 3-N-(1,4-dimethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(1,4-dimethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(1,4-dimethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine is Cc1cn(C)c(NC(C)CCN(C)C)n1.
What is the InChIKey of 3-N-(1,4-dimethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is DRPSFJNPERAAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-9(6-7-14(3)4)12-11-13-10(2)8-15(11)5/h8-9H,6-7H2,1-5H3,(H,12,13).
What are the key properties of 3-N-(1,4-dimethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
3-N-(1,4-dimethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 210.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1,4-dimethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 106567746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).