1-[5-(oxolan-3-yl)-1H-imidazol-2-yl]cyclohexan-1-amine

C13H21N3O — CID 105496720

IUPAC1-[5-(oxolan-3-yl)-1H-imidazol-2-yl]cyclohexan-1-amine
SMILESNC1(c2ncc(C3CCOC3)[nH]2)CCCCC1
InChIInChI=1S/C13H21N3O/c14-13(5-2-1-3-6-13)12-15-8-11(16-12)10-4-7-17-9-10/h8,10H,1-7,9,14H2,(H,15,16)
InChIKeyTZFIRGMXDNLYAT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.03
Rot. Bonds2

About 1-[5-(oxolan-3-yl)-1H-imidazol-2-yl]cyclohexan-1-amine

1-[5-(oxolan-3-yl)-1H-imidazol-2-yl]cyclohexan-1-amine (PubChem CID 105496720) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[5-(oxolan-3-yl)-1H-imidazol-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[5-(oxolan-3-yl)-1H-imidazol-2-yl]cyclohexan-1-amine
PubChem CID105496720
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[5-(oxolan-3-yl)-1H-imidazol-2-yl]cyclohexan-1-amine
SMILESNC1(c2ncc(C3CCOC3)[nH]2)CCCCC1
InChIInChI=1S/C13H21N3O/c14-13(5-2-1-3-6-13)12-15-8-11(16-12)10-4-7-17-9-10/h8,10H,1-7,9,14H2,(H,15,16)
InChIKeyTZFIRGMXDNLYAT-UHFFFAOYSA-N
XLogP2.03
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(oxolan-3-yl)-1H-imidazol-2-yl]cyclohexan-1-amine?
The IUPAC name of 1-[5-(oxolan-3-yl)-1H-imidazol-2-yl]cyclohexan-1-amine (CID 105496720) is 1-[5-(oxolan-3-yl)-1H-imidazol-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[5-(oxolan-3-yl)-1H-imidazol-2-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[5-(oxolan-3-yl)-1H-imidazol-2-yl]cyclohexan-1-amine is NC1(c2ncc(C3CCOC3)[nH]2)CCCCC1.
What is the InChIKey of 1-[5-(oxolan-3-yl)-1H-imidazol-2-yl]cyclohexan-1-amine?
The InChIKey is TZFIRGMXDNLYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c14-13(5-2-1-3-6-13)12-15-8-11(16-12)10-4-7-17-9-10/h8,10H,1-7,9,14H2,(H,15,16).
What are the key properties of 1-[5-(oxolan-3-yl)-1H-imidazol-2-yl]cyclohexan-1-amine?
1-[5-(oxolan-3-yl)-1H-imidazol-2-yl]cyclohexan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(oxolan-3-yl)-1H-imidazol-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 105496720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).