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

C13H21N3S — CID 106578219

IUPACN-cyclopropyl-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine
SMILESCc1cn(CC2(C)CCCS2)c(NC2CC2)n1
InChIInChI=1S/C13H21N3S/c1-10-8-16(9-13(2)6-3-7-17-13)12(14-10)15-11-4-5-11/h8,11H,3-7,9H2,1-2H3,(H,14,15)
InChIKeyNALZWXSDMZWKRT-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.05
Rot. Bonds4

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

N-cyclopropyl-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine (PubChem CID 106578219) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine
PubChem CID106578219
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-cyclopropyl-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine
SMILESCc1cn(CC2(C)CCCS2)c(NC2CC2)n1
InChIInChI=1S/C13H21N3S/c1-10-8-16(9-13(2)6-3-7-17-13)12(14-10)15-11-4-5-11/h8,11H,3-7,9H2,1-2H3,(H,14,15)
InChIKeyNALZWXSDMZWKRT-UHFFFAOYSA-N
XLogP3.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine?
The IUPAC name of N-cyclopropyl-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine (CID 106578219) is N-cyclopropyl-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine.
What is the SMILES notation for N-cyclopropyl-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine?
The canonical SMILES for N-cyclopropyl-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine is Cc1cn(CC2(C)CCCS2)c(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine?
The InChIKey is NALZWXSDMZWKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-10-8-16(9-13(2)6-3-7-17-13)12(14-10)15-11-4-5-11/h8,11H,3-7,9H2,1-2H3,(H,14,15).
What are the key properties of N-cyclopropyl-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine?
N-cyclopropyl-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine has a molecular weight of 251.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 106578219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).