1-(2-methoxyethyl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine

C11H21N3OS — CID 106573653

IUPAC1-(2-methoxyethyl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine
SMILESCOCCn1cc(C)nc1NCCCSC
InChIInChI=1S/C11H21N3OS/c1-10-9-14(6-7-15-2)11(13-10)12-5-4-8-16-3/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyNFAXUTLZXMIXMM-UHFFFAOYSA-N
MW243.38 g/mol
LogP2.00
Rot. Bonds8

About 1-(2-methoxyethyl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine

1-(2-methoxyethyl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine (PubChem CID 106573653) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine
PubChem CID106573653
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name1-(2-methoxyethyl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine
SMILESCOCCn1cc(C)nc1NCCCSC
InChIInChI=1S/C11H21N3OS/c1-10-9-14(6-7-15-2)11(13-10)12-5-4-8-16-3/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyNFAXUTLZXMIXMM-UHFFFAOYSA-N
XLogP2.00
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-Methoxyethyl)-5-methyl-1H-imidazol-2-YL]ethan-1-amine
CID 86820595
N-{2-[1-(2-Methoxyethyl)-5-methyl-1H-imidazol-2-YL]ethyl}propane-1-sulfonamide
CID 91923947
N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]ethanesulfonamide
CID 91923948
N-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}propane-2-sulfonamide
CID 131937458
(2S)-N-[(1-ethylimidazol-4-yl)methyl]-3-methoxybutan-2-amine
CID 138020874
Trimethyl-[2-[[4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-lambda4-sulfane
CID 132215758
Trimethyl-[2-[[2-methyl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]-lambda4-sulfane
CID 170633058
2-{[2-(4-Methyl-1H-imidazol-1-yl)ethyl]sulfanyl}ethan-1-ol
CID 71345702
N-[(3-propylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 66129788
N-[(3-ethylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 66133033
2-methoxy-N-[[3-(2,2,2-trifluoroethyl)imidazol-4-yl]methyl]ethanamine
CID 66146499
N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 66151410

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine?
The IUPAC name of 1-(2-methoxyethyl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine (CID 106573653) is 1-(2-methoxyethyl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine?
The canonical SMILES for 1-(2-methoxyethyl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine is COCCn1cc(C)nc1NCCCSC.
What is the InChIKey of 1-(2-methoxyethyl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine?
The InChIKey is NFAXUTLZXMIXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-10-9-14(6-7-15-2)11(13-10)12-5-4-8-16-3/h9H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 1-(2-methoxyethyl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine?
1-(2-methoxyethyl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine has a molecular weight of 243.38 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-methyl-N-(3-methylsulfanylpropyl)imidazol-2-amine is sourced from PubChem (CID 106573653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).