1-butan-2-yl-N-ethyl-4-methylimidazol-2-amine

C10H19N3 — CID 106554895

IUPAC1-butan-2-yl-N-ethyl-4-methylimidazol-2-amine
SMILESCCNc1nc(C)cn1C(C)CC
InChIInChI=1S/C10H19N3/c1-5-9(4)13-7-8(3)12-10(13)11-6-2/h7,9H,5-6H2,1-4H3,(H,11,12)
InChIKeyAMPIBFUIFIHPRB-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.59
Rot. Bonds4

About 1-butan-2-yl-N-ethyl-4-methylimidazol-2-amine

1-butan-2-yl-N-ethyl-4-methylimidazol-2-amine (PubChem CID 106554895) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-butan-2-yl-N-ethyl-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-butan-2-yl-N-ethyl-4-methylimidazol-2-amine
PubChem CID106554895
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-butan-2-yl-N-ethyl-4-methylimidazol-2-amine
SMILESCCNc1nc(C)cn1C(C)CC
InChIInChI=1S/C10H19N3/c1-5-9(4)13-7-8(3)12-10(13)11-6-2/h7,9H,5-6H2,1-4H3,(H,11,12)
InChIKeyAMPIBFUIFIHPRB-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(dimethylamino)butan-2-yl]-N-ethyl-4-methylimidazol-2-amine
CID 106567736
1-butan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554900
N-ethyl-4-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106574743
N-ethyl-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine
CID 106581055
1-(1-methoxypropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106554728
N-ethyl-1-[1-(4-methoxyphenyl)ethyl]-4-methylimidazol-2-amine
CID 106576296
4-methyl-1-pentan-2-yl-N-prop-2-enylimidazol-2-amine
CID 106555821
1-(1-cyclopropylpropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106572732
4-methyl-1-(1-methylsulfinylpropan-2-yl)-N-prop-2-enylimidazol-2-amine
CID 106580475
N-butyl-1-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine
CID 106582178
N-ethyl-4-methyl-1-(2-methylsulfinylethyl)imidazol-2-amine
CID 106581380
1-[1-(diethylamino)propan-2-yl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106566325

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-ethyl-4-methylimidazol-2-amine?
The IUPAC name of 1-butan-2-yl-N-ethyl-4-methylimidazol-2-amine (CID 106554895) is 1-butan-2-yl-N-ethyl-4-methylimidazol-2-amine.
What is the SMILES notation for 1-butan-2-yl-N-ethyl-4-methylimidazol-2-amine?
The canonical SMILES for 1-butan-2-yl-N-ethyl-4-methylimidazol-2-amine is CCNc1nc(C)cn1C(C)CC.
What is the InChIKey of 1-butan-2-yl-N-ethyl-4-methylimidazol-2-amine?
The InChIKey is AMPIBFUIFIHPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-5-9(4)13-7-8(3)12-10(13)11-6-2/h7,9H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 1-butan-2-yl-N-ethyl-4-methylimidazol-2-amine?
1-butan-2-yl-N-ethyl-4-methylimidazol-2-amine has a molecular weight of 181.28 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-ethyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106554895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).