3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-propan-2-ylbutan-1-amine

C13H25N3 — CID 102904711

IUPAC3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-propan-2-ylbutan-1-amine
SMILESCc1ncc(CNCC(C(C)C)C(C)C)[nH]1
InChIInChI=1S/C13H25N3/c1-9(2)13(10(3)4)8-14-6-12-7-15-11(5)16-12/h7,9-10,13-14H,6,8H2,1-5H3,(H,15,16)
InChIKeyMZHAICBTZNYGEU-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.74
Rot. Bonds6

About 3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-propan-2-ylbutan-1-amine

3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-propan-2-ylbutan-1-amine (PubChem CID 102904711) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-propan-2-ylbutan-1-amine
PubChem CID102904711
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-propan-2-ylbutan-1-amine
SMILESCc1ncc(CNCC(C(C)C)C(C)C)[nH]1
InChIInChI=1S/C13H25N3/c1-9(2)13(10(3)4)8-14-6-12-7-15-11(5)16-12/h7,9-10,13-14H,6,8H2,1-5H3,(H,15,16)
InChIKeyMZHAICBTZNYGEU-UHFFFAOYSA-N
XLogP2.74
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-propan-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-propan-2-ylbutan-1-amine (CID 102904711) is 3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-propan-2-ylbutan-1-amine is Cc1ncc(CNCC(C(C)C)C(C)C)[nH]1.
What is the InChIKey of 3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-propan-2-ylbutan-1-amine?
The InChIKey is MZHAICBTZNYGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-9(2)13(10(3)4)8-14-6-12-7-15-11(5)16-12/h7,9-10,13-14H,6,8H2,1-5H3,(H,15,16).
What are the key properties of 3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-propan-2-ylbutan-1-amine?
3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-propan-2-ylbutan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102904711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).