N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine

C13H25N3OS — CID 106580909

IUPACN-(1-methoxypropan-2-yl)-4-methyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine
SMILESCOCC(C)Nc1nc(C)cn1CC(C)(C)SC
InChIInChI=1S/C13H25N3OS/c1-10-7-16(9-13(3,4)18-6)12(14-10)15-11(2)8-17-5/h7,11H,8-9H2,1-6H3,(H,14,15)
InChIKeyPJKVDBKDNSIHGX-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.78
Rot. Bonds7

About N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine

N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine (PubChem CID 106580909) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-4-methyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine
PubChem CID106580909
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC NameN-(1-methoxypropan-2-yl)-4-methyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine
SMILESCOCC(C)Nc1nc(C)cn1CC(C)(C)SC
InChIInChI=1S/C13H25N3OS/c1-10-7-16(9-13(3,4)18-6)12(14-10)15-11(2)8-17-5/h7,11H,8-9H2,1-6H3,(H,14,15)
InChIKeyPJKVDBKDNSIHGX-UHFFFAOYSA-N
XLogP2.78
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,2-dimethylbutyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106583486
N-(1-methoxypropan-2-yl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106554828
1-(2-methoxyethyl)-4-methyl-N-(1-methylsulfanylpropan-2-yl)imidazol-2-amine
CID 106581332
N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine
CID 106581065
1-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106558864
N-(1-methoxypropan-2-yl)-4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-amine
CID 106566093
1-[(4,5-dimethylthiophen-2-yl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106573869
1-[(2-ethylphenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106574539
1-(3-methoxy-2-methylpropyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106566653
N-(1-methoxypropan-2-yl)-4-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571808
N-(1-methoxypropan-2-yl)-4-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
CID 106569960
N-(1-methoxypropan-2-yl)-4-methyl-1-(2-thiophen-3-ylethyl)imidazol-2-amine
CID 106567535

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine (CID 106580909) is N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine is COCC(C)Nc1nc(C)cn1CC(C)(C)SC.
What is the InChIKey of N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine?
The InChIKey is PJKVDBKDNSIHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-10-7-16(9-13(3,4)18-6)12(14-10)15-11(2)8-17-5/h7,11H,8-9H2,1-6H3,(H,14,15).
What are the key properties of N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine?
N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine has a molecular weight of 271.43 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine is sourced from PubChem (CID 106580909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).