2-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propan-2-amine

C10H19N3S — CID 61385863

IUPAC2-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propan-2-amine
SMILESCn1ccnc1SCCNC(C)(C)C
InChIInChI=1S/C10H19N3S/c1-10(2,3)12-6-8-14-9-11-5-7-13(9)4/h5,7,12H,6,8H2,1-4H3
InChIKeyOEWQOHXEUNUDIK-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.90
Rot. Bonds4

About 2-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propan-2-amine

2-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propan-2-amine (PubChem CID 61385863) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propan-2-amine
PubChem CID61385863
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name2-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propan-2-amine
SMILESCn1ccnc1SCCNC(C)(C)C
InChIInChI=1S/C10H19N3S/c1-10(2,3)12-6-8-14-9-11-5-7-13(9)4/h5,7,12H,6,8H2,1-4H3
InChIKeyOEWQOHXEUNUDIK-UHFFFAOYSA-N
XLogP1.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-4-(1-methylimidazol-2-yl)sulfanylbutan-1-amine
CID 62577482
3,3-dimethyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]butan-1-amine
CID 60697535
N-ethyl-2-(1-methylimidazol-2-yl)sulfanylethanamine;hydrochloride
CID 86262337
2-tert-butylsulfanyl-1-methylimidazole
CID 10261609
2-(ethylamino)-2-methyl-5-(1-methylimidazol-2-yl)sulfanylpentan-1-ol
CID 64820866
4-ethoxy-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]butan-1-amine
CID 62578334
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzenesulfonamide
CID 51204540
N-tert-butyl-3-methyl-3-(1-methylimidazol-2-yl)butan-1-amine
CID 81023446
2-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propan-2-amine
CID 64503751
1-methyl-2-pent-3-ynylsulfanylimidazole
CID 130645056
N-tert-butyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine
CID 62593911
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-7H-purin-6-amine
CID 39826375

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propan-2-amine (CID 61385863) is 2-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propan-2-amine is Cn1ccnc1SCCNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propan-2-amine?
The InChIKey is OEWQOHXEUNUDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-10(2,3)12-6-8-14-9-11-5-7-13(9)4/h5,7,12H,6,8H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propan-2-amine?
2-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propan-2-amine has a molecular weight of 213.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propan-2-amine is sourced from PubChem (CID 61385863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).