3-methyl-1-(3-propan-2-ylimidazol-4-yl)butan-1-amine

C11H21N3 — CID 114703737

IUPAC3-methyl-1-(3-propan-2-ylimidazol-4-yl)butan-1-amine
SMILESCC(C)CC(N)c1cncn1C(C)C
InChIInChI=1S/C11H21N3/c1-8(2)5-10(12)11-6-13-7-14(11)9(3)4/h6-10H,5,12H2,1-4H3
InChIKeySGTYIVOCHBBTSD-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.51
Rot. Bonds4

About 3-methyl-1-(3-propan-2-ylimidazol-4-yl)butan-1-amine

3-methyl-1-(3-propan-2-ylimidazol-4-yl)butan-1-amine (PubChem CID 114703737) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-methyl-1-(3-propan-2-ylimidazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(3-propan-2-ylimidazol-4-yl)butan-1-amine
PubChem CID114703737
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-methyl-1-(3-propan-2-ylimidazol-4-yl)butan-1-amine
SMILESCC(C)CC(N)c1cncn1C(C)C
InChIInChI=1S/C11H21N3/c1-8(2)5-10(12)11-6-13-7-14(11)9(3)4/h6-10H,5,12H2,1-4H3
InChIKeySGTYIVOCHBBTSD-UHFFFAOYSA-N
XLogP2.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-propan-2-ylimidazol-4-yl)butan-1-amine?
The IUPAC name of 3-methyl-1-(3-propan-2-ylimidazol-4-yl)butan-1-amine (CID 114703737) is 3-methyl-1-(3-propan-2-ylimidazol-4-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-1-(3-propan-2-ylimidazol-4-yl)butan-1-amine?
The canonical SMILES for 3-methyl-1-(3-propan-2-ylimidazol-4-yl)butan-1-amine is CC(C)CC(N)c1cncn1C(C)C.
What is the InChIKey of 3-methyl-1-(3-propan-2-ylimidazol-4-yl)butan-1-amine?
The InChIKey is SGTYIVOCHBBTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-8(2)5-10(12)11-6-13-7-14(11)9(3)4/h6-10H,5,12H2,1-4H3.
What are the key properties of 3-methyl-1-(3-propan-2-ylimidazol-4-yl)butan-1-amine?
3-methyl-1-(3-propan-2-ylimidazol-4-yl)butan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-propan-2-ylimidazol-4-yl)butan-1-amine is sourced from PubChem (CID 114703737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).