3-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine

C11H21N3 — CID 81019534

IUPAC3-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)c1nccn1C
InChIInChI=1S/C11H21N3/c1-9(2)12-6-5-10(3)11-13-7-8-14(11)4/h7-10,12H,5-6H2,1-4H3
InChIKeyWOCRNIANGWEULB-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.91
Rot. Bonds5

About 3-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine

3-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine (PubChem CID 81019534) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine
PubChem CID81019534
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)c1nccn1C
InChIInChI=1S/C11H21N3/c1-9(2)12-6-5-10(3)11-13-7-8-14(11)4/h7-10,12H,5-6H2,1-4H3
InChIKeyWOCRNIANGWEULB-UHFFFAOYSA-N
XLogP1.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-1-amine
CID 115860076
N-[1-(1-methylimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine
CID 115901512
2,3-dimethyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
CID 115859990
N-ethyl-3-(1-methylimidazol-2-yl)butan-2-amine
CID 63200047
N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 103913887
5-(1-methylimidazol-2-yl)-N-propan-2-ylpentan-1-amine
CID 114532105
3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
CID 63974740
N-ethyl-2-methoxy-1-(1-methylimidazol-2-yl)propan-1-amine
CID 79615862
3-(2-methylpyrazol-3-yl)-N-propan-2-ylbutan-1-amine
CID 81019413
N,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-amine
CID 63974966
(1R)-1-(1-methylimidazol-2-yl)ethanamine
CID 42220137
3,3-dimethyl-4-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine
CID 81021659

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine (CID 81019534) is 3-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine is CC(C)NCCC(C)c1nccn1C.
What is the InChIKey of 3-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine?
The InChIKey is WOCRNIANGWEULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(2)12-6-5-10(3)11-13-7-8-14(11)4/h7-10,12H,5-6H2,1-4H3.
What are the key properties of 3-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine?
3-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 81019534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).