1-(1-methoxypropan-2-yl)-N-(1-methylcyclobutyl)imidazol-2-amine

C12H21N3O — CID 106580375

IUPAC1-(1-methoxypropan-2-yl)-N-(1-methylcyclobutyl)imidazol-2-amine
SMILESCOCC(C)n1ccnc1NC1(C)CCC1
InChIInChI=1S/C12H21N3O/c1-10(9-16-3)15-8-7-13-11(15)14-12(2)5-4-6-12/h7-8,10H,4-6,9H2,1-3H3,(H,13,14)
InChIKeySHGDIDKWOHZKSW-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.44
Rot. Bonds5

About 1-(1-methoxypropan-2-yl)-N-(1-methylcyclobutyl)imidazol-2-amine

1-(1-methoxypropan-2-yl)-N-(1-methylcyclobutyl)imidazol-2-amine (PubChem CID 106580375) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-N-(1-methylcyclobutyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-N-(1-methylcyclobutyl)imidazol-2-amine
PubChem CID106580375
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(1-methoxypropan-2-yl)-N-(1-methylcyclobutyl)imidazol-2-amine
SMILESCOCC(C)n1ccnc1NC1(C)CCC1
InChIInChI=1S/C12H21N3O/c1-10(9-16-3)15-8-7-13-11(15)14-12(2)5-4-6-12/h7-8,10H,4-6,9H2,1-3H3,(H,13,14)
InChIKeySHGDIDKWOHZKSW-UHFFFAOYSA-N
XLogP2.44
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-N-(1-methylcyclobutyl)imidazol-2-amine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-N-(1-methylcyclobutyl)imidazol-2-amine (CID 106580375) is 1-(1-methoxypropan-2-yl)-N-(1-methylcyclobutyl)imidazol-2-amine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-N-(1-methylcyclobutyl)imidazol-2-amine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-N-(1-methylcyclobutyl)imidazol-2-amine is COCC(C)n1ccnc1NC1(C)CCC1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-N-(1-methylcyclobutyl)imidazol-2-amine?
The InChIKey is SHGDIDKWOHZKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(9-16-3)15-8-7-13-11(15)14-12(2)5-4-6-12/h7-8,10H,4-6,9H2,1-3H3,(H,13,14).
What are the key properties of 1-(1-methoxypropan-2-yl)-N-(1-methylcyclobutyl)imidazol-2-amine?
1-(1-methoxypropan-2-yl)-N-(1-methylcyclobutyl)imidazol-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-N-(1-methylcyclobutyl)imidazol-2-amine is sourced from PubChem (CID 106580375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).