5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine

C12H23N3O — CID 79505720

IUPAC5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)CC1CN=C(N)N1CC1CCCO1
InChIInChI=1S/C12H23N3O/c1-9(2)6-10-7-14-12(13)15(10)8-11-4-3-5-16-11/h9-11H,3-8H2,1-2H3,(H2,13,14)
InChIKeyJLGVSHZKYMQBTQ-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.21
Rot. Bonds4

About 5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine

5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79505720) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine
PubChem CID79505720
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)CC1CN=C(N)N1CC1CCCO1
InChIInChI=1S/C12H23N3O/c1-9(2)6-10-7-14-12(13)15(10)8-11-4-3-5-16-11/h9-11H,3-8H2,1-2H3,(H2,13,14)
InChIKeyJLGVSHZKYMQBTQ-UHFFFAOYSA-N
XLogP1.21
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine (CID 79505720) is 5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine is CC(C)CC1CN=C(N)N1CC1CCCO1.
What is the InChIKey of 5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is JLGVSHZKYMQBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(2)6-10-7-14-12(13)15(10)8-11-4-3-5-16-11/h9-11H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of 5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 225.34 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79505720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).