N-(2,2-dimethylpropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine

C12H23N3O — CID 106563648

IUPACN-(2,2-dimethylpropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
SMILESCOCC(C)n1ccnc1NCC(C)(C)C
InChIInChI=1S/C12H23N3O/c1-10(8-16-5)15-7-6-13-11(15)14-9-12(2,3)4/h6-7,10H,8-9H2,1-5H3,(H,13,14)
InChIKeySDDKPOSZWXAANZ-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.55
Rot. Bonds5

About N-(2,2-dimethylpropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine

N-(2,2-dimethylpropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine (PubChem CID 106563648) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
PubChem CID106563648
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-(2,2-dimethylpropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
SMILESCOCC(C)n1ccnc1NCC(C)(C)C
InChIInChI=1S/C12H23N3O/c1-10(8-16-5)15-7-6-13-11(15)14-9-12(2,3)4/h6-7,10H,8-9H2,1-5H3,(H,13,14)
InChIKeySDDKPOSZWXAANZ-UHFFFAOYSA-N
XLogP2.55
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine (CID 106563648) is N-(2,2-dimethylpropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine is COCC(C)n1ccnc1NCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine?
The InChIKey is SDDKPOSZWXAANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(8-16-5)15-7-6-13-11(15)14-9-12(2,3)4/h6-7,10H,8-9H2,1-5H3,(H,13,14).
What are the key properties of N-(2,2-dimethylpropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine?
N-(2,2-dimethylpropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine has a molecular weight of 225.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106563648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).