N'-(1-ethylimidazol-2-yl)-N',2,2-trimethylpropane-1,3-diamine

C11H22N4 — CID 79652850

IUPACN'-(1-ethylimidazol-2-yl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCCn1ccnc1N(C)CC(C)(C)CN
InChIInChI=1S/C11H22N4/c1-5-15-7-6-13-10(15)14(4)9-11(2,3)8-12/h6-7H,5,8-9,12H2,1-4H3
InChIKeyRJLQSRGIKQIEOO-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.32
Rot. Bonds5

About N'-(1-ethylimidazol-2-yl)-N',2,2-trimethylpropane-1,3-diamine

N'-(1-ethylimidazol-2-yl)-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 79652850) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N'-(1-ethylimidazol-2-yl)-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1-ethylimidazol-2-yl)-N',2,2-trimethylpropane-1,3-diamine
PubChem CID79652850
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN'-(1-ethylimidazol-2-yl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCCn1ccnc1N(C)CC(C)(C)CN
InChIInChI=1S/C11H22N4/c1-5-15-7-6-13-10(15)14(4)9-11(2,3)8-12/h6-7H,5,8-9,12H2,1-4H3
InChIKeyRJLQSRGIKQIEOO-UHFFFAOYSA-N
XLogP1.32
TPSA47.08 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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(1-ethylimidazol-2-yl)-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-(1-ethylimidazol-2-yl)-N',2,2-trimethylpropane-1,3-diamine (CID 79652850) is N'-(1-ethylimidazol-2-yl)-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(1-ethylimidazol-2-yl)-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-(1-ethylimidazol-2-yl)-N',2,2-trimethylpropane-1,3-diamine is CCn1ccnc1N(C)CC(C)(C)CN.
What is the InChIKey of N'-(1-ethylimidazol-2-yl)-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is RJLQSRGIKQIEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-5-15-7-6-13-10(15)14(4)9-11(2,3)8-12/h6-7H,5,8-9,12H2,1-4H3.
What are the key properties of N'-(1-ethylimidazol-2-yl)-N',2,2-trimethylpropane-1,3-diamine?
N'-(1-ethylimidazol-2-yl)-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 210.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-ethylimidazol-2-yl)-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 79652850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).