1-(1-methylsulfanylpropan-2-yl)-N-propylimidazol-2-amine

C10H19N3S — CID 106581355

IUPAC1-(1-methylsulfanylpropan-2-yl)-N-propylimidazol-2-amine
SMILESCCCNc1nccn1C(C)CSC
InChIInChI=1S/C10H19N3S/c1-4-5-11-10-12-6-7-13(10)9(2)8-14-3/h6-7,9H,4-5,8H2,1-3H3,(H,11,12)
InChIKeyNXBQDXYMUMCHFI-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.63
Rot. Bonds6

About 1-(1-methylsulfanylpropan-2-yl)-N-propylimidazol-2-amine

1-(1-methylsulfanylpropan-2-yl)-N-propylimidazol-2-amine (PubChem CID 106581355) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-(1-methylsulfanylpropan-2-yl)-N-propylimidazol-2-amine.

Molecular Properties

Compound Name1-(1-methylsulfanylpropan-2-yl)-N-propylimidazol-2-amine
PubChem CID106581355
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name1-(1-methylsulfanylpropan-2-yl)-N-propylimidazol-2-amine
SMILESCCCNc1nccn1C(C)CSC
InChIInChI=1S/C10H19N3S/c1-4-5-11-10-12-6-7-13(10)9(2)8-14-3/h6-7,9H,4-5,8H2,1-3H3,(H,11,12)
InChIKeyNXBQDXYMUMCHFI-UHFFFAOYSA-N
XLogP2.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfanylpropan-2-yl)-N-propylimidazol-2-amine?
The IUPAC name of 1-(1-methylsulfanylpropan-2-yl)-N-propylimidazol-2-amine (CID 106581355) is 1-(1-methylsulfanylpropan-2-yl)-N-propylimidazol-2-amine.
What is the SMILES notation for 1-(1-methylsulfanylpropan-2-yl)-N-propylimidazol-2-amine?
The canonical SMILES for 1-(1-methylsulfanylpropan-2-yl)-N-propylimidazol-2-amine is CCCNc1nccn1C(C)CSC.
What is the InChIKey of 1-(1-methylsulfanylpropan-2-yl)-N-propylimidazol-2-amine?
The InChIKey is NXBQDXYMUMCHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-4-5-11-10-12-6-7-13(10)9(2)8-14-3/h6-7,9H,4-5,8H2,1-3H3,(H,11,12).
What are the key properties of 1-(1-methylsulfanylpropan-2-yl)-N-propylimidazol-2-amine?
1-(1-methylsulfanylpropan-2-yl)-N-propylimidazol-2-amine has a molecular weight of 213.35 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfanylpropan-2-yl)-N-propylimidazol-2-amine is sourced from PubChem (CID 106581355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).