1-(1-methoxypropan-2-yl)-4-methyl-N-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine

C14H25N3OS — CID 106578180

IUPAC1-(1-methoxypropan-2-yl)-4-methyl-N-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1NCC1(C)CCCS1
InChIInChI=1S/C14H25N3OS/c1-11-8-17(12(2)9-18-4)13(16-11)15-10-14(3)6-5-7-19-14/h8,12H,5-7,9-10H2,1-4H3,(H,15,16)
InChIKeyNQZOJWAPYADYOI-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.10
Rot. Bonds6

About 1-(1-methoxypropan-2-yl)-4-methyl-N-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine

1-(1-methoxypropan-2-yl)-4-methyl-N-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine (PubChem CID 106578180) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-4-methyl-N-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-4-methyl-N-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine
PubChem CID106578180
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name1-(1-methoxypropan-2-yl)-4-methyl-N-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1NCC1(C)CCCS1
InChIInChI=1S/C14H25N3OS/c1-11-8-17(12(2)9-18-4)13(16-11)15-10-14(3)6-5-7-19-14/h8,12H,5-7,9-10H2,1-4H3,(H,15,16)
InChIKeyNQZOJWAPYADYOI-UHFFFAOYSA-N
XLogP3.10
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106583085
1-(1-methoxypropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106554728
N-(2-methoxyethyl)-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine
CID 106578192
1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine
CID 106554321
N-(1-methoxy-3-methylbutan-2-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106575059
1-(1-methoxypropan-2-yl)-4-methyl-N-(4-methylpentan-2-yl)imidazol-2-amine
CID 106561678
1-(1-methoxypropan-2-yl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine
CID 106573349
1-butan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554900
6-methyl-N-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 80527909
1-(1-methoxypropan-2-yl)-4-methyl-N-[1-(2-methylphenyl)ethyl]imidazol-2-amine
CID 106567416
1-(1-methoxypropan-2-yl)-4-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine
CID 106560455
N-(1-cyclohexylpropyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106571299

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-4-methyl-N-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-4-methyl-N-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine (CID 106578180) is 1-(1-methoxypropan-2-yl)-4-methyl-N-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-4-methyl-N-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-4-methyl-N-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine is COCC(C)n1cc(C)nc1NCC1(C)CCCS1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-4-methyl-N-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine?
The InChIKey is NQZOJWAPYADYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-11-8-17(12(2)9-18-4)13(16-11)15-10-14(3)6-5-7-19-14/h8,12H,5-7,9-10H2,1-4H3,(H,15,16).
What are the key properties of 1-(1-methoxypropan-2-yl)-4-methyl-N-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine?
1-(1-methoxypropan-2-yl)-4-methyl-N-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine has a molecular weight of 283.44 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-4-methyl-N-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 106578180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).