N-tert-butyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine

C11H22N4 — CID 62593911

IUPACN-tert-butyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine
SMILESCN(CCNC(C)(C)C)c1nccn1C
InChIInChI=1S/C11H22N4/c1-11(2,3)13-7-9-15(5)10-12-6-8-14(10)4/h6,8,13H,7,9H2,1-5H3
InChIKeyUJOCFURSYJKDSM-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.24
Rot. Bonds4

About N-tert-butyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine

N-tert-butyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine (PubChem CID 62593911) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N-tert-butyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine
PubChem CID62593911
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN-tert-butyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine
SMILESCN(CCNC(C)(C)C)c1nccn1C
InChIInChI=1S/C11H22N4/c1-11(2,3)13-7-9-15(5)10-12-6-8-14(10)4/h6,8,13H,7,9H2,1-5H3
InChIKeyUJOCFURSYJKDSM-UHFFFAOYSA-N
XLogP1.24
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine
CID 62586727
N-tert-butyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 114528242
N-tert-butyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63025347
3-[2-(tert-butylamino)ethyl-methylamino]-1-propylpyrazin-2-one
CID 62927325
2-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propan-2-amine
CID 64503751
N-tert-butyl-3-methyl-3-(1-methylimidazol-2-yl)butan-1-amine
CID 81023446
2-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propan-2-amine
CID 61385863
N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 107445440
N-tert-butyl-N',2,2-trimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63024792
N'-(5-bromopyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine
CID 63873229
3-[2-(tert-butylamino)ethyl-methylamino]-1-cyclopropylpyrazin-2-one
CID 55157011
N-tert-butyl-4-(1-methylimidazol-2-yl)pent-3-en-1-amine
CID 79608061

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine?
The IUPAC name of N-tert-butyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine (CID 62593911) is N-tert-butyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-tert-butyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-tert-butyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine is CN(CCNC(C)(C)C)c1nccn1C.
What is the InChIKey of N-tert-butyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine?
The InChIKey is UJOCFURSYJKDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-11(2,3)13-7-9-15(5)10-12-6-8-14(10)4/h6,8,13H,7,9H2,1-5H3.
What are the key properties of N-tert-butyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine?
N-tert-butyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine has a molecular weight of 210.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 62593911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).