N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine

C12H23N3 — CID 106719321

IUPACN-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)CCn1cnc(CNC(C)C)c1
InChIInChI=1S/C12H23N3/c1-10(2)5-6-15-8-12(14-9-15)7-13-11(3)4/h8-11,13H,5-7H2,1-4H3
InChIKeyYQPUCAFALZAYES-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.43
Rot. Bonds6

About N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine

N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine (PubChem CID 106719321) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine
PubChem CID106719321
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)CCn1cnc(CNC(C)C)c1
InChIInChI=1S/C12H23N3/c1-10(2)5-6-15-8-12(14-9-15)7-13-11(3)4/h8-11,13H,5-7H2,1-4H3
InChIKeyYQPUCAFALZAYES-UHFFFAOYSA-N
XLogP2.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-tert-butylsulfanylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 114271401
N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719368
N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719477
2-methoxy-N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]ethanamine
CID 106720362
N-(3-methylbutyl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 106719405
N-methyl-2-[1-(3-methylbutyl)imidazol-4-yl]ethanamine
CID 79985899
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719484
N-[[1-(2-tert-butylsulfonylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719505
N-[3-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]propyl]acetamide
CID 155582672
4-butyl-1-(3-methylbutyl)imidazole
CID 164535740
N-[[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 114204770
N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719500

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine (CID 106719321) is N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine is CC(C)CCn1cnc(CNC(C)C)c1.
What is the InChIKey of N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is YQPUCAFALZAYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-10(2)5-6-15-8-12(14-9-15)7-13-11(3)4/h8-11,13H,5-7H2,1-4H3.
What are the key properties of N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine?
N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 209.34 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 106719321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).