1-methyl-N-[2-(2-methyloxan-4-yl)ethyl]-4,5-dihydroimidazol-2-amine

C12H23N3O — CID 120972089

IUPAC1-methyl-N-[2-(2-methyloxan-4-yl)ethyl]-4,5-dihydroimidazol-2-amine
SMILESCC1CC(CCNC2=NCCN2C)CCO1
InChIInChI=1S/C12H23N3O/c1-10-9-11(4-8-16-10)3-5-13-12-14-6-7-15(12)2/h10-11H,3-9H2,1-2H3,(H,13,14)
InChIKeySHLOUMFIEGAIOB-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.08
Rot. Bonds3

About 1-methyl-N-[2-(2-methyloxan-4-yl)ethyl]-4,5-dihydroimidazol-2-amine

1-methyl-N-[2-(2-methyloxan-4-yl)ethyl]-4,5-dihydroimidazol-2-amine (PubChem CID 120972089) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-methyl-N-[2-(2-methyloxan-4-yl)ethyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[2-(2-methyloxan-4-yl)ethyl]-4,5-dihydroimidazol-2-amine
PubChem CID120972089
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-methyl-N-[2-(2-methyloxan-4-yl)ethyl]-4,5-dihydroimidazol-2-amine
SMILESCC1CC(CCNC2=NCCN2C)CCO1
InChIInChI=1S/C12H23N3O/c1-10-9-11(4-8-16-10)3-5-13-12-14-6-7-15(12)2/h10-11H,3-9H2,1-2H3,(H,13,14)
InChIKeySHLOUMFIEGAIOB-UHFFFAOYSA-N
XLogP1.08
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(2-methyloxan-4-yl)ethyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-methyl-N-[2-(2-methyloxan-4-yl)ethyl]-4,5-dihydroimidazol-2-amine (CID 120972089) is 1-methyl-N-[2-(2-methyloxan-4-yl)ethyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[2-(2-methyloxan-4-yl)ethyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-methyl-N-[2-(2-methyloxan-4-yl)ethyl]-4,5-dihydroimidazol-2-amine is CC1CC(CCNC2=NCCN2C)CCO1.
What is the InChIKey of 1-methyl-N-[2-(2-methyloxan-4-yl)ethyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is SHLOUMFIEGAIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10-9-11(4-8-16-10)3-5-13-12-14-6-7-15(12)2/h10-11H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 1-methyl-N-[2-(2-methyloxan-4-yl)ethyl]-4,5-dihydroimidazol-2-amine?
1-methyl-N-[2-(2-methyloxan-4-yl)ethyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 225.34 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(2-methyloxan-4-yl)ethyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120972089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).