N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine

C12H24N4 — CID 107445440

IUPACN'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
SMILESCn1ccnc1CCNCCNC(C)(C)C
InChIInChI=1S/C12H24N4/c1-12(2,3)15-8-7-13-6-5-11-14-9-10-16(11)4/h9-10,13,15H,5-8H2,1-4H3
InChIKeyILJDXTSQKWLLHQ-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.94
Rot. Bonds6

About N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine

N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine (PubChem CID 107445440) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
PubChem CID107445440
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
SMILESCn1ccnc1CCNCCNC(C)(C)C
InChIInChI=1S/C12H24N4/c1-12(2,3)15-8-7-13-6-5-11-14-9-10-16(11)4/h9-10,13,15H,5-8H2,1-4H3
InChIKeyILJDXTSQKWLLHQ-UHFFFAOYSA-N
XLogP0.94
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propan-2-amine
CID 64503751
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
3,3,3-trifluoro-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 64554814
N-tert-butyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 114528242
3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine
CID 106328740
N-(2-tert-butylsulfonylethyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 106723544
N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 61214559
2-methyl-1-[2-(1-methylimidazol-2-yl)ethylamino]butan-2-ol
CID 114493001
1,1-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 114527728
1-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]propan-2-amine
CID 114527764
2-chloro-4,4-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 107155741
N-[2-(2-chloroethoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 114531748

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine (CID 107445440) is N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine is Cn1ccnc1CCNCCNC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine?
The InChIKey is ILJDXTSQKWLLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-12(2,3)15-8-7-13-6-5-11-14-9-10-16(11)4/h9-10,13,15H,5-8H2,1-4H3.
What are the key properties of N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine?
N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 107445440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).