N-[2-methyl-1-[methyl(phenylmethyl)amino]propan-2-yl]formamide;thulium

C13H19N2OTm- — CID 178098986

IUPACN-[2-methyl-1-[methyl(phenylmethyl)amino]propan-2-yl]formamide;thulium
SMILESCN(Cc1cc[c-]cc1)CC(C)(C)NC=O.[Tm]
InChIInChI=1S/C13H19N2O.Tm/c1-13(2,14-11-16)10-15(3)9-12-7-5-4-6-8-12;/h5-8,11H,9-10H2,1-3H3,(H,14,16);/q-1;
InChIKeyWUTSWVJBWZEVGF-UHFFFAOYSA-N
MW388.24 g/mol
LogP1.44
Rot. Bonds6

About N-[2-methyl-1-[methyl(phenylmethyl)amino]propan-2-yl]formamide;thulium

N-[2-methyl-1-[methyl(phenylmethyl)amino]propan-2-yl]formamide;thulium (PubChem CID 178098986) has the molecular formula C13H19N2OTm- and a molecular weight of 388.24 g/mol. Its IUPAC name is N-[2-methyl-1-[methyl(phenylmethyl)amino]propan-2-yl]formamide;thulium.

Molecular Properties

Compound NameN-[2-methyl-1-[methyl(phenylmethyl)amino]propan-2-yl]formamide;thulium
PubChem CID178098986
Molecular FormulaC13H19N2OTm-
Molecular Weight388.24 g/mol
Exact Mass388.08
IUPAC NameN-[2-methyl-1-[methyl(phenylmethyl)amino]propan-2-yl]formamide;thulium
SMILESCN(Cc1cc[c-]cc1)CC(C)(C)NC=O.[Tm]
InChIInChI=1S/C13H19N2O.Tm/c1-13(2,14-11-16)10-15(3)9-12-7-5-4-6-8-12;/h5-8,11H,9-10H2,1-3H3,(H,14,16);/q-1;
InChIKeyWUTSWVJBWZEVGF-UHFFFAOYSA-N
XLogP1.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[methyl(phenylmethyl)amino]propan-2-yl]formamide;thulium?
The IUPAC name of N-[2-methyl-1-[methyl(phenylmethyl)amino]propan-2-yl]formamide;thulium (CID 178098986) is N-[2-methyl-1-[methyl(phenylmethyl)amino]propan-2-yl]formamide;thulium.
What is the SMILES notation for N-[2-methyl-1-[methyl(phenylmethyl)amino]propan-2-yl]formamide;thulium?
The canonical SMILES for N-[2-methyl-1-[methyl(phenylmethyl)amino]propan-2-yl]formamide;thulium is CN(Cc1cc[c-]cc1)CC(C)(C)NC=O.[Tm].
What is the InChIKey of N-[2-methyl-1-[methyl(phenylmethyl)amino]propan-2-yl]formamide;thulium?
The InChIKey is WUTSWVJBWZEVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N2O.Tm/c1-13(2,14-11-16)10-15(3)9-12-7-5-4-6-8-12;/h5-8,11H,9-10H2,1-3H3,(H,14,16);/q-1;.
What are the key properties of N-[2-methyl-1-[methyl(phenylmethyl)amino]propan-2-yl]formamide;thulium?
N-[2-methyl-1-[methyl(phenylmethyl)amino]propan-2-yl]formamide;thulium has a molecular weight of 388.24 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[methyl(phenylmethyl)amino]propan-2-yl]formamide;thulium is sourced from PubChem (CID 178098986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).