2-[3-(6-methylheptan-2-yl)imidazol-4-yl]ethanamine

C13H25N3 — CID 114719540

IUPAC2-[3-(6-methylheptan-2-yl)imidazol-4-yl]ethanamine
SMILESCC(C)CCCC(C)n1cncc1CCN
InChIInChI=1S/C13H25N3/c1-11(2)5-4-6-12(3)16-10-15-9-13(16)7-8-14/h9-12H,4-8,14H2,1-3H3
InChIKeyHJHIJVQRMKDZJS-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.77
Rot. Bonds7

About 2-[3-(6-methylheptan-2-yl)imidazol-4-yl]ethanamine

2-[3-(6-methylheptan-2-yl)imidazol-4-yl]ethanamine (PubChem CID 114719540) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-[3-(6-methylheptan-2-yl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(6-methylheptan-2-yl)imidazol-4-yl]ethanamine
PubChem CID114719540
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-[3-(6-methylheptan-2-yl)imidazol-4-yl]ethanamine
SMILESCC(C)CCCC(C)n1cncc1CCN
InChIInChI=1S/C13H25N3/c1-11(2)5-4-6-12(3)16-10-15-9-13(16)7-8-14/h9-12H,4-8,14H2,1-3H3
InChIKeyHJHIJVQRMKDZJS-UHFFFAOYSA-N
XLogP2.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methylheptan-2-yl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[3-(6-methylheptan-2-yl)imidazol-4-yl]ethanamine (CID 114719540) is 2-[3-(6-methylheptan-2-yl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-(6-methylheptan-2-yl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-(6-methylheptan-2-yl)imidazol-4-yl]ethanamine is CC(C)CCCC(C)n1cncc1CCN.
What is the InChIKey of 2-[3-(6-methylheptan-2-yl)imidazol-4-yl]ethanamine?
The InChIKey is HJHIJVQRMKDZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-11(2)5-4-6-12(3)16-10-15-9-13(16)7-8-14/h9-12H,4-8,14H2,1-3H3.
What are the key properties of 2-[3-(6-methylheptan-2-yl)imidazol-4-yl]ethanamine?
2-[3-(6-methylheptan-2-yl)imidazol-4-yl]ethanamine has a molecular weight of 223.36 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methylheptan-2-yl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114719540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).