[2-(1-methoxycyclohexyl)-1H-imidazol-5-yl]methanamine

C11H19N3O — CID 116779739

IUPAC[2-(1-methoxycyclohexyl)-1H-imidazol-5-yl]methanamine
SMILESCOC1(c2ncc(CN)[nH]2)CCCCC1
InChIInChI=1S/C11H19N3O/c1-15-11(5-3-2-4-6-11)10-13-8-9(7-12)14-10/h8H,2-7,12H2,1H3,(H,13,14)
InChIKeyHJEPDQZRYHAOTB-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.67
Rot. Bonds3

About [2-(1-methoxycyclohexyl)-1H-imidazol-5-yl]methanamine

[2-(1-methoxycyclohexyl)-1H-imidazol-5-yl]methanamine (PubChem CID 116779739) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is [2-(1-methoxycyclohexyl)-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1-methoxycyclohexyl)-1H-imidazol-5-yl]methanamine
PubChem CID116779739
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[2-(1-methoxycyclohexyl)-1H-imidazol-5-yl]methanamine
SMILESCOC1(c2ncc(CN)[nH]2)CCCCC1
InChIInChI=1S/C11H19N3O/c1-15-11(5-3-2-4-6-11)10-13-8-9(7-12)14-10/h8H,2-7,12H2,1H3,(H,13,14)
InChIKeyHJEPDQZRYHAOTB-UHFFFAOYSA-N
XLogP1.67
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxycyclohexyl)-1H-imidazol-5-yl]methanamine?
The IUPAC name of [2-(1-methoxycyclohexyl)-1H-imidazol-5-yl]methanamine (CID 116779739) is [2-(1-methoxycyclohexyl)-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [2-(1-methoxycyclohexyl)-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [2-(1-methoxycyclohexyl)-1H-imidazol-5-yl]methanamine is COC1(c2ncc(CN)[nH]2)CCCCC1.
What is the InChIKey of [2-(1-methoxycyclohexyl)-1H-imidazol-5-yl]methanamine?
The InChIKey is HJEPDQZRYHAOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-15-11(5-3-2-4-6-11)10-13-8-9(7-12)14-10/h8H,2-7,12H2,1H3,(H,13,14).
What are the key properties of [2-(1-methoxycyclohexyl)-1H-imidazol-5-yl]methanamine?
[2-(1-methoxycyclohexyl)-1H-imidazol-5-yl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxycyclohexyl)-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 116779739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).