N-ethyl-3-(1-methylimidazol-2-yl)butan-2-amine

C10H19N3 — CID 63200047

IUPACN-ethyl-3-(1-methylimidazol-2-yl)butan-2-amine
SMILESCCNC(C)C(C)c1nccn1C
InChIInChI=1S/C10H19N3/c1-5-11-9(3)8(2)10-12-6-7-13(10)4/h6-9,11H,5H2,1-4H3
InChIKeyOECMSYQOCSBCAY-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.52
Rot. Bonds4

About N-ethyl-3-(1-methylimidazol-2-yl)butan-2-amine

N-ethyl-3-(1-methylimidazol-2-yl)butan-2-amine (PubChem CID 63200047) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-ethyl-3-(1-methylimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-(1-methylimidazol-2-yl)butan-2-amine
PubChem CID63200047
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-ethyl-3-(1-methylimidazol-2-yl)butan-2-amine
SMILESCCNC(C)C(C)c1nccn1C
InChIInChI=1S/C10H19N3/c1-5-11-9(3)8(2)10-12-6-7-13(10)4/h6-9,11H,5H2,1-4H3
InChIKeyOECMSYQOCSBCAY-UHFFFAOYSA-N
XLogP1.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methoxy-1-(1-methylimidazol-2-yl)propan-1-amine
CID 79615862
2-ethoxy-N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)butan-1-amine
CID 116721352
2-butan-2-ylsulfanyl-N-ethyl-1-(1-methylimidazol-2-yl)ethanamine
CID 65136608
2-methyl-N-[1-(1-methylimidazol-2-yl)propyl]propan-1-amine
CID 115900547
1-methyl-2-pentan-3-ylimidazole
CID 89261277
N-[(1-methylimidazol-2-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 65199028
N-[(3,5-dibromophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 114022999
N-[cyclooctyl-(1-methylimidazol-2-yl)methyl]ethanamine
CID 80603968
N-[(1-methylimidazol-2-yl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107975384
2,3-dimethyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
CID 115859990
(1S)-N-ethyl-1-(1-methylimidazol-2-yl)ethanesulfonamide
CID 97177613
2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol
CID 65104045

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-methylimidazol-2-yl)butan-2-amine?
The IUPAC name of N-ethyl-3-(1-methylimidazol-2-yl)butan-2-amine (CID 63200047) is N-ethyl-3-(1-methylimidazol-2-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-3-(1-methylimidazol-2-yl)butan-2-amine?
The canonical SMILES for N-ethyl-3-(1-methylimidazol-2-yl)butan-2-amine is CCNC(C)C(C)c1nccn1C.
What is the InChIKey of N-ethyl-3-(1-methylimidazol-2-yl)butan-2-amine?
The InChIKey is OECMSYQOCSBCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-5-11-9(3)8(2)10-12-6-7-13(10)4/h6-9,11H,5H2,1-4H3.
What are the key properties of N-ethyl-3-(1-methylimidazol-2-yl)butan-2-amine?
N-ethyl-3-(1-methylimidazol-2-yl)butan-2-amine has a molecular weight of 181.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1-methylimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 63200047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).